Water

Water

SCHEMBL669056

CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].O.[Na+].[Na+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
RECQL P46063 2/20 0.96
TSHR P16473 2/20 0.96
GLA P06280 1/20 0.96
HPGD P15428 1/20 0.96
MAPK1 P28482 1/20 0.96
EPHX2 P34913 1/20 0.96
BLM P54132 1/20 0.96
CA1 P00915 10/20 0.57
CA2 P00918 10/20 0.57
CA9 Q16790 8/20 0.57
CA12 O43570 3/20 0.57
CA7 P43166 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA3 P07451 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 2/20 0.57
CA5A P35218 2/20 0.57
CA5B Q9Y2D0 2/20 0.57
FUT7 Q11130 1/20 0.42
FGF1 P05230 3/20 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
Water SCHEMBL28352580 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Water SCHEMBL7534502 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Water SCHEMBL10868534 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Octadecyl Sulfate SCHEMBL739215 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Water SCHEMBL771625 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Water SCHEMBL27678765 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Water SCHEMBL28277065 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Water SCHEMBL1023737 1.00 RECQL (0.96) RECQLTSHRGLAHPGDMAPK1
Ammonia Solution, Strong SCHEMBL28293425 0.98 RECQL (0.92) RECQLTSHRGLAHPGDMAPK1
SCHEMBL23387500 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346660-A1 Oral Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-11-02 US claimed
US-20230338273-A1 Oral Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-10-26 US claimed
US-20230270637-A1 Oral Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-08-31 US claimed
US-20230255865-A1 Oral Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-08-17 US claimed
EP-4188312-A1 ORAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2023-06-07 EP claimed
EP-4188317-A1 ORAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2023-06-07 EP claimed
EP-4188556-A1 ORAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2023-06-07 EP claimed
EP-4188555-A1 ORAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2023-06-07 EP claimed
US-20110044914-A1 CLEANING COMPOSITIONS AND METHODS COLGATE -PALMOLIVE COMPANY (US) 2011-02-24 US claimed
US-20100330002-A1 COMPOSITIONS AND METHODS COMPRISING BASIC AMINO ACID PEPTIDES AND PROTEASES COLGATE-PALMOLIVE COMPANY (US) 2010-12-30 US claimed
EP-2249794-A2 COMPOSITIONS AND METHODS COMPRISING BASIC AMINO ACID PEPTIDES AND PROTEASES Colgate-Palmolive Company (US) 2010-11-17 EP claimed
EP-2247278-A2 CLEANING COMPOSITIONS AND METHODS Colgate-Palmolive Company (US) 2010-11-10 EP claimed
WO-2009100281-A2 CLEANING COMPOSITIONS AND METHODS COLGATE-PALMOLIVE COMPANY (US) 2009-08-13 WO claimed
WO-2009100260-A2 COMPOSITIONS AND METHODS COMPRISING BASIC AMINO ACID PEPTIDES AND PROTEASES COLGATE-PALMOLIVE COMPANY (US) 2009-08-13 WO claimed
EP-1003467-A4 PREPARATIONS AND METHOD FOR REMOVING TOBACCO TAR FROM SMOKER'S TEETH, GUMS, DENTURES, DENTAL PLATES, AND ORAL CAVITY SURFACES BLOCK DRUG CO (US) 2005-01-05 EP claimed
US-6086372-A Dental and oral preparation BLOCK DRUG COMPANY, INC. (US) 2000-07-11 US claimed
EP-1003467-A1 PREPARATIONS AND METHOD FOR REMOVING TOBACCO TAR FROM SMOKER'S TEETH, GUMS, DENTURES, DENTAL PLATES, AND ORAL CAVITY SURFACES BLOCK DRUG COMPANY INC. (US) 2000-05-31 EP claimed
WO-1998055084-A1 PREPARATIONS AND METHOD FOR REMOVING TOBACCO TAR FROM SMOKER'S TEETH, GUMS, DENTURES, DENTAL PLATES, AND ORAL CAVITY SURFACES BLOCK DRUG COMPANY, INC. (US) 1998-12-10 WO claimed
US-5662888-A Toothpaste for smokers for solubilizing and removing tobacco tars JEFFREY MITCHELL LABORATORIES (US) 1997-09-02 US claimed
US-5514366-A Dental and oral preparation for smokers for solubilizing and removing tobacco tars as well as onion and garlic essential oils BLOCK DRUG COMPANY, INC. 1996-05-07 US claimed