Water

Water

SCHEMBL875759

CCCCCCCC[N+](CC)(CC)CC.[OH-]

nearest known ligand 0.94

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 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.94
SLC22A1 O15245 3/20 0.77
ALDH1A1 P00352 1/20 0.72
TP53 P04637 1/20 0.72
CYP3A4 P08684 1/20 0.72
ALOX15 P16050 1/20 0.72
TSHR P16473 1/20 0.72
ALOX12 P18054 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HIF1A Q16665 1/20 0.72
HSD17B10 Q99714 1/20 0.72
SLC22A2 O15244 1/20 0.71
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
APAF1 O14727 1/20 0.55
HSP90AA1 P07900 1/20 0.55
RAD52 P43351 1/20 0.55

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
Water SCHEMBL3485786 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL5427605 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL5419812 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL3485493 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL5427521 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL11137195 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
Water SCHEMBL1765130 1.00 DNM1 (0.94) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332945 0.97 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL640740 0.97 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332106 0.97 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4553061-A1 METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2025-05-14 EP disclosed
CN-119585234-A Method for producing fluorine-containing aromatic compound 大金工业株式会社 2025-03-07 CN disclosed
CN-119403778-A Process for producing fluorinated organic compound 大金工业株式会社 2025-02-07 CN disclosed
CN-112020485-B Process for producing difluoromethylene compound 大金工业株式会社 2023-11-14 CN disclosed
EP-4223736-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND Daikin Industries, Ltd. (JP) 2023-08-09 EP disclosed
US-20230242468-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2023-08-03 US disclosed
CN-116249686-A Process for producing fluorinated organic compound 大金工业株式会社 2023-06-09 CN disclosed
US-11377407-B2 Method for producing difluoromethylene compound DAIKIN INDUSTRIES, LTD. (JP) 2022-07-05 US disclosed
WO-2022071363-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND ダイキン工業株式会社 2022-04-07 WO disclosed
US-20210363077-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2021-11-25 US disclosed
EP-1304316-A1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS Daikin Industries, Ltd. (JP) 2003-04-23 EP disclosed
EP-0781752-B1 Process for preparing fluorine-containing dicarbonyl compound DAIKIN IND LTD (JP) 2001-02-21 EP disclosed
US-5972064-A USEFUL FOR FERTILIZER COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed
EP-0808297-B1 USE OF NOT EASILY VOLATILISED PYRAZOL DERIVATIVES WITH HYDROPHILIC GROUPS AS NITRIFICATION INHIBITORS BASF AG (DE) 1999-05-12 EP disclosed
EP-0799168-A1 USE OF PYRAZOLE DERIVATIVES WITH HYDROPHOBIC GROUPS AS NITRIFICATION INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
EP-0781752-A1 Process for preparing fluorine-containing dicarbonyl compound DAIKIN INDUSTRIES, LIMITED (JP) 1997-07-02 EP disclosed
US-5569778-A REACTING DICARBONYL COMPOUND WITH FLUORINE IN HALOGENATED HYDROCARBON OR NITRILE SOLVENT DAIKIN INDUSTRIES LTD. (JP) 1996-10-29 US disclosed
WO-1996020146-A1 USE OF PYRAZOLE DERIVATIVES WITH HYDROPHOBIC GROUPS AS NITRIFICATION INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed
EP-0667332-A1 PROCESS FOR PRODUCING FLUORINATED DICARBONYL COMPOUND DAIKIN INDUSTRIES, LIMITED (JP) 1995-08-16 EP disclosed
US-4172005-A Method of etching a semiconductor substrate TOKYO SHIBAURA ELECTRIC CO., LTD. (JP) 1979-10-23 US 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 (1 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-20230242468-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND IPO5, PFAS, FBL DNM1 1362/4885SLC22A1 4002/4885ALDH1A1 2298/4885

“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.