Water

Water

SCHEMBL547593

CC(C)(C)c1ccc([I+]c2ccc(O)cc2)cc1.[OH-]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 1/20 0.39
GABRB2 known ✓ P47870 1/20 0.39
LMNA P02545 1/20 0.70
TYR P14679 1/20 0.70
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
ESRRG P62508 6/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AR P10275 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 2/20 0.43
UQCRB P14927 1/20 0.43
SHBG P04278 1/20 0.42
SLC22A2 O15244 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4384127 0.98 LMNA (0.73) LMNATYRESR1ESR2ESRRG
Water SCHEMBL515827 0.89 TSHR (0.50) LMNATYRTSHRHPGDHSD17B10
Acetic Acid SCHEMBL547683 0.87 LMNA (0.57) LMNATYRESR1ESR2ESRRG
SCHEMBL12762156 0.86 TSHR (0.52) LMNATYRTSHRHPGDHSD17B10
SCHEMBL70734 0.86 TSHR (0.52) LMNATYRTSHRHPGDHSD17B10
Iodide SCHEMBL2968443 0.84 TSHR (0.50) LMNATYRTSHRHPGDHSD17B10
Bromide SCHEMBL10810288 0.84 TSHR (0.50) LMNATYRTSHRHPGDALDH1A1
Hydrochloric Acid SCHEMBL217655 0.84 TSHR (0.50) LMNATYRTSHRHPGDHSD17B10
SCHEMBL19157 0.83 LMNA (1.00) LMNATYRESR1ESR2ESRRG
Hydrogen Sulfide SCHEMBL20597835 0.81 LMNA (0.94) LMNATYRESR1ESR2ESRRG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 157 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026100410-A1 IODINE-CONTAINING POLYMERIZABLE COMPOUND AND IODINE-CONTAINING POLYMER 三菱瓦斯化学株式会社 2026-05-15 WO disclosed
US-11852970-B2 Material for lithography, production method therefor, composition for lithography, pattern formation method, compound, resin, and method for purifying the compound or the resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-26 US disclosed
US-11572430-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-02-07 US disclosed
US-11480877-B2 Resist composition, method for forming resist pattern, and polyphenol compound used therein MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-10-25 US disclosed
US-11256170-B2 Compound, resist composition, and method for forming resist pattern using it MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-02-22 US disclosed
US-11243467-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-02-08 US disclosed
EP-3279727-B1 COMPOUND, RESIST COMPOSITION, AND METHOD FOR FORMING RESIST PATTERN USING IT MITSUBISHI GAS CHEMICAL CO (JP) 2021-06-09 EP disclosed
EP-3062151-B1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, POLYPHENOLIC COMPOUND FOR USE IN THE COMPOSITION, AND ALCOHOLIC COMPOUND THAT CAN BE DERIVED THEREFROM MITSUBISHI GAS CHEMICAL CO (JP) 2021-05-05 EP disclosed
EP-3141957-B1 RESIST MATERIAL, RESIST COMPOSITION, AND RESIST PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2021-03-24 EP disclosed
EP-3279728-B1 RESIST BASE MATERIAL, RESIST COMPOSITION, AND METHOD FOR FORMING RESIST PATTERN MITSUBISHI GAS CHEMICAL CO (JP) 2021-03-17 EP disclosed
US-7871751-B2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-01-18 US disclosed
US-20100323292-A1 RESIST PATTERN FORMATION METHOD, AND RESIN COMPOSITION CAPABLE OF INSOLUBILIZING RESIST PATTERN JSR CORPORATION (JP) 2010-12-23 US disclosed
US-20100285405-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-11-11 US disclosed
US-20100239981-A1 POLYMER AND POSITIVE-TONE RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-23 US disclosed
US-20100190104-A1 METHOD FOR PATTERN FORMATION AND RESIN COMPOSITION FOR USE IN THE METHOD JSR CORPORATION (JP) 2010-07-29 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2128706-A1 RESIST PATTERN FORMATION METHOD, AND RESIN COMPOSITION CAPABLE OF INSOLUBILIZING RESIST PATTERN JSR Corporation (JP) 2009-12-02 EP disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
US-20080153031-A1 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-26 US disclosed
EP-1739485-A1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-01-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11480877-B2 Resist composition, method for forming resist pattern, and polyphenol compound used therein SLC11A2, ABCC1, FBL GABRA1 2315/4885GABRB2 1318/4885LMNA 3644/4885
US-11852970-B2 Material for lithography, production method therefor, composition for lithography, pattern formation method, compound, resin, and method for purifying the compound or the resin SLC39A11, CROCC, TERB1 GABRA1 3202/4885GABRB2 4213/4885LMNA 772/4885
US-11256170-B2 Compound, resist composition, and method for forming resist pattern using it RDX, SLC11A2, FBL GABRA1 1119/4885GABRB2 1194/4885LMNA 824/4885
US-11572430-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method C9, C5, C1R GABRA1 3110/4885GABRB2 3518/4885LMNA 723/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 GABRA1 2429/4885GABRB2 3018/4885LMNA 286/4885
US-11243467-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method C9, C5, C1R GABRA1 3110/4885GABRB2 3518/4885LMNA 723/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.