Water

Water

SCHEMBL548229

Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.[OH-]

nearest known ligand 0.50

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
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GLA P06280 1/20 0.50
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
ESR1 P03372 11/20 0.44
ESR2 Q92731 9/20 0.44
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL502108 0.97 CA12 (0.53) CA12CA1CA2CA3CA4
SCHEMBL158163 0.97 CA12 (0.53) CA12CA1CA2CA3CA4
Iodide SCHEMBL1049929 0.95 CA12 (0.50) CA12CA1CA2CA3CA4
Bromide SCHEMBL3136370 0.95 CA12 (0.50) CA12CA1CA2CA3CA4
Hydrochloric Acid SCHEMBL3142697 0.95 CA12 (0.50) CA12CA1CA2CA3CA4
Phenol SCHEMBL8331182 0.89 CA12 (0.65) CA12CA1CA2CA3CA4
Perchlorate SCHEMBL3126944 0.88 CA12 (0.43) CA12CA1CA2CA3CA4
SCHEMBL3139535 0.88 MMP3 (0.48) CA12CA1CA2CA3CA4
SCHEMBL501727 0.86 ALOX15 (0.57) CA12CA1CA2CA3CA4
SCHEMBL3132315 0.84 MMP3 (0.44) CA12CA1CA2CA3CA4

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 170 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
CN-107924123-B Material for lithography, method for producing same, composition for lithography, method for forming pattern, compound, resin, and method for purifying same 学校法人关西大学 2021-08-06 CN disclosed
CN-107533291-B Compound, resist composition, and resist pattern formation method using same 三菱瓦斯化学株式会社 2021-06-11 CN 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
US-20100248167-A1 PATTERN-FORMING METHOD JSR CORPORATION (JP) 2010-09-30 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-20100068650-A1 POSITIVE-WORKING RADIATION-SENSITIVE COMPOSITION AND METHOD FOR RESIST PATTERN FORMATION USING THE COMPOSITION JSR CORPORATION (JP) 2010-03-18 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2131240-A1 POSITIVE-WORKING RADIATION-SENSITIVE COMPOSITION AND METHOD FOR RESIST PATTERN FORMATION USING THE COMPOSITION JSR Corporation (JP) 2009-12-09 EP 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 CA12 3727/4885CA1 3866/4885CA2 3898/4885
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 CA12 2546/4885CA1 1120/4885CA2 3332/4885
US-11256170-B2 Compound, resist composition, and method for forming resist pattern using it RDX, SLC11A2, FBL CA12 4094/4885CA1 3738/4885CA2 3666/4885
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 CA12 1606/4885CA1 161/4885CA2 1466/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 CA12 886/4885CA1 764/4885CA2 2466/4885
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 CA12 1606/4885CA1 161/4885CA2 1466/4885

“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.