Water

Water

SCHEMBL5809985

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

nearest known ligand 0.00

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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 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 SCHEMBL1120078 1.00
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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297609-A1 PHARMACEUTICAL COMPOSITIONS Novartis AG (CH) 2018-03-28 EP claimed
CN-107847448-A Pharmaceutical composition 诺华股份有限公司 2018-03-27 CN claimed
WO-2016189435-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2016-12-01 WO claimed
CN-1210262-C Method for preparing mesylate salt trihydrate of 1- (4-hydroxyphenyl) -2- (4-hydroxy-4-phenylpiperidin-1-yl) -1-propanol PFIZER PROD INC (US) 2005-07-13 CN claimed
CN-1193036-C Method of preparing clarithromycin of form II crystals HANMI PHARM IND CO LTD (KR) 2005-03-16 CN claimed
EP-1151995-B1 Process for the preparation of the mesylate salt trihydrate of 1-(4-Hydroxyphenyl)-2-(4-Hydroxy-4-Phenylpiperidin-1-YL)-1-Propanol PFIZER PROD INC (US) 2004-09-22 EP claimed
EP-1149831-B1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER PROD INC (US) 2004-09-01 EP claimed
US-6645986-B2 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol PFIZER PRODUCTS, INC. 2003-11-11 US claimed
CN-1429233-A Method of preparing clarithromycin of form II crystals HANMI PHARM IND CO LTD (KR) 2003-07-09 CN claimed
US-6570018-B2 Reducing the propanone of the compound with an alkali metal borohydride and cleaving the protecting group in the presence of methanesulfonic acid; n-methyl-d-aspartic acid receptor antagonist; longer shelf life PFIZER INC 2003-05-27 US claimed
US-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER INC. 2002-02-07 US claimed
CN-1321638-A Method for preparing mesylate salt trihydrate of 1- (4-hydroxyphenyl) -2- (4-hydroxy-4-phenylpiperidin-1-yl) -1-propanol PFIZER PROD INC (US) 2001-11-14 CN claimed
EP-1151995-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-Hydroxyphenyl)-2-(4-Hydroxy-4-Phenylpiperidin-1-YL)-1-Propanol Pfizer Products Inc. (US) 2001-11-07 EP claimed
EP-1149831-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor Pfizer Products Inc. (US) 2001-10-31 EP claimed
US-6008233-A TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM PFIZER INC (US) 1999-12-28 US claimed
CN-1198739-A (1S,2S) -1- (4-hydroxyphenyl) -2- (4-hydroxy-4-phenylpiperidin-1-yl) -1-propanol mesylate trihydrate PFIZER (US) 1998-11-11 CN claimed
EP-0843661-A1 (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)-1-PROPANOLMETHANESULFONATE TRIHYDRATE PFIZER INC. (US) 1998-05-27 EP claimed
US-5716961-A Treatment of tinnitus using neuroprotective agents PFIZER INC. (US) 1998-02-10 US claimed
EP-0768086-A1 Treatment of tinnitus using neuroprotective agents PFIZER INC. (US) 1997-04-16 EP claimed
WO-1997007098-A1 (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)-1-PROPANOLMETHANESULFONATE TRIHYDRATE PFIZER INC. (US) 1997-02-27 WO claimed