Water

Water

SCHEMBL187879

[OH-].c1ccc([N+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

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
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CA7 P43166 1/20 0.33
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL414301 0.96 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL123613 0.92 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
Bromide SCHEMBL130138 0.92 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
Methane SCHEMBL27907628 0.92 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
SCHEMBL12762124 0.92 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
Fluoride Ion SCHEMBL2481380 0.92 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
Iodide SCHEMBL2899228 0.92 APOBEC3A (0.56) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
Bromide SCHEMBL8580336 0.89 APOBEC3A (0.45) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
SCHEMBL6238199 0.86 APOBEC3A (0.43) APOBEC3AAPOBEC3GALDH1A1TSHRTDP1
SCHEMBL7639777 0.83 APOBEC3A (0.41) APOBEC3AAPOBEC3GALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021735-A1 METHOD FOR TESTING THE RESISTANCE OF DATA CARRIERS AND SECURITY DOCUMENTS Bundesdruckerei GmbH (DE) 2022-07-06 EP claimed
WO-2021037480-A1 METHOD FOR TESTING THE RESISTANCE OF DATA CARRIERS AND SECURITY DOCUMENTS BUNDESDRUCKEREI GMBH (DE) 2021-03-04 WO claimed
CN-102822226-B The method of preparation divinylarene 蓝立方知识产权有限责任公司 2016-08-17 CN claimed
EP-2547669-B1 PROCESS FOR PREPARING DIVINYLARENE DIOXIDES BLUE CUBE IP LLC (US) 2015-11-25 EP claimed
CN-103468052-B Remover of electric porcelain insulator surface failure paint STATE GRID CORP CHINA 2014-11-05 CN claimed
US-8633327-B2 Process for preparing divinylarene dioxides DOW GLOBAL TECHNOLOGIES INC. (US) 2014-01-21 US claimed
CN-103468052-A Remover of electric porcelain insulator surface failure paint STATE GRID CORP CHINA 2013-12-25 CN claimed
EP-2277936-B1 Method of preparing polycarbonate resin LG CHEMICAL LTD (KR) 2013-03-13 EP claimed
EP-2547669-A1 PROCESS FOR PREPARING DIVINYLARENE DIOXIDES Dow Global Technologies LLC (US) 2013-01-23 EP claimed
CN-102869653-A Process for preparing divinylarene dioxides DOW GLOBAL TECHNOLOGIES LLC 2013-01-09 CN claimed
WO-2011119655-A2 PROCESS FOR PREPARING DIVINLYLARENE DIOXIDES DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-29 WO claimed
WO-2011116180-A1 PROCESS FOR PREPARING DIVINYLARENE DIOXIDES DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-22 WO claimed
EP-1809685-B1 METHOD OF PREPARING POLYCARBONATE RESIN LG CHEMICAL LTD (KR) 2011-07-20 EP claimed
EP-2277936-A1 Method of preparing polycarbonate resin LG Chemical, Ltd. (KR) 2011-01-26 EP claimed
EP-1809685-A4 METHOD OF PREPARING POLYCARBONATE RESIN LG CHEMICAL LTD (KR) 2008-10-01 EP claimed
US-7332559-B2 Method of preparing polycarbonate resin LG CHEM, LTD. (KR) 2008-02-19 US claimed
EP-1809685-A1 METHOD OF PREPARING POLYCARBONATE RESIN LG Chemical Co. Ltd (KR) 2007-07-25 EP claimed
WO-2006043793-A1 METHOD OF PREPARING POLYCARBONATE RESIN LG CHEM, LTD. (KR) 2006-04-27 WO claimed
US-20060089484-A1 Method of preparing polycarbonate resin LG CHEM, LTD. (KR) 2006-04-27 US claimed
US-4443637-A CARBOHYDRATE OR LACTIC ACID, METAL SALT, SOLVENT, ALCOHOL, ETHER, AMINE (OXIDE), SULFOXIDE, QUATERNARY AMMONIUM HYDROXIDE BATTELLE DEVELOPMENT CORPORATION (US) 1984-04-17 US claimed