Water

Water

SCHEMBL1120078

CS(=O)(=O)O.O.O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL5809985 1.00
Water SCHEMBL11750618 1.00 CA2 (0.54)
Water SCHEMBL1697235 1.00 CA2 (0.54)
Water SCHEMBL9333419 1.00
Water SCHEMBL7032487 1.00 CA2 (0.54)
Water SCHEMBL8140555 1.00 CA2 (0.54)
Water SCHEMBL660657 1.00
Water SCHEMBL22581621 0.95
Water SCHEMBL22581609 0.95
Water SCHEMBL10342957 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604274-A Geopodaxine preparation 葛兰素史密斯克莱知识产权发展有限公司 2025-03-11 CN claimed
CN-119546302-A For the treatment of bacterial prostate Geopodaxine for treating adenosis 葛兰素史密斯克莱知识产权发展有限公司 2025-02-28 CN claimed
US-12227481-B2 Crystalline solid forms of salts of N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl) cyclopropane-1,1-dicarboxamide, processes for making, and methods of use EXELIXIS, INC. (US) 2025-02-18 US claimed
WO-2024028263-A1 GEPOTIDACIN FORMULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-08 WO claimed
EP-4316463-A1 NOVEL FORMULATION GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-02-07 EP claimed
CN-111065621-B New method for preparing antibody-drug conjugate 第一三共株式会社 2024-01-26 CN claimed
US-20240010621-A1 CRYSTALLINE SOLID FORMS OF SALTS OF N-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PHENYL}-N'-(4-FLUOROPHENYL) CYCLOPROPANE-1,1-DICARBOXAMIDE, PROCESSES FOR MAKING, AND METHODS OF USE EXELIXIS, INC. 2024-01-11 US claimed
EP-4288035-A1 ORAL SOLID DOSE FORMULATIONS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-12-13 EP claimed
CN-116887818-A Oral solid dosage formulation 葛兰素史克知识产权发展有限公司 2023-10-13 CN claimed
US-20230167113-A1 CRYSTALLINE FORMS OF GEPOTIDACIN GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-06-01 US claimed
CN-111051330-A Improved preparation method of antibody-drug conjugate 第一三共株式会社 2020-04-21 CN claimed
EP-0918772-B1 MESYLATE DIHYDRATE SALTS OF 5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)-ETHYL)-6-CHLORO-1,3-DIHYDRO-2(1H)-INDOL-2-ONE (=ZIPRASIDONE), ITS PREPARATION AND ITS USE AS DOPAMINE D2 ANTAGONIST PFIZER (US) 2004-10-06 EP claimed
CN-1091769-C Mesylate dihydrate salts of 5-(2-(4-(1,2-benzi sothiazol-3-yl)-1-piperazinyl)-ethyl)-6-chloro-1,3-dihydro-2(1H)-indol-2-one PFIZER (US) 2002-10-02 CN claimed
CN-1332167-A Eprosartan dihydrate and its prep. SMITHKLINE BEECHEM CORP (US) 2002-01-23 CN claimed
US-6245765-B1 PSYCHOLOGICAL DISORDERS PFIZER INC 2001-06-12 US claimed
EP-0918772-A1 MESYLATE DIHYDRATE SALTS OF 5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)-ETHYL)-6-CHLORO-1,3-DIHYDRO-2(1H)-INDOL-2-ONE (=ZIPRASIDONE), ITS PREPARATION AND ITS USE AS DOPAMINE D2 ANTAGONIST PFIZER INC. (US) 1999-06-02 EP claimed
CN-1216991-A Mesylate dihydrate salts of 5-(2-(4-(1,2-benzi sothiazol-3-yl)-1-piperazinyl)-ethyl)-6-chloro-1,3-dihydro-2(1H)-indol-2-one PFIZER (US) 1999-05-19 CN claimed
CN-1214682-A EPROSARATAN dihydrate and preparation and formulation method thereof SMITHKLINE BEECHAM CORP (US) 1999-04-21 CN claimed
WO-1997042191-A1 MESYLATE DIHYDRATE SALTS OF 5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)-ETHYL)-6-CHLORO-1,3-DIHYDRO-2(1H)-INDOL-2-ONE (=ZIPRASIDONE), ITS PREPARATION AND ITS USE AS DOPAMINE D2 ANTAGONIST PFIZER INC. (US) 1997-11-13 WO claimed
CN-1091429-A Lactam derivatives GLAXO GROUP LTD (GB) 1994-08-31 CN claimed