Water

Water

SCHEMBL5161722

C=C(C)COCC[N+](C)(C)CCCS(=O)(=O)O.[OH-]

nearest known ligand 0.34

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 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.34

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
SCHEMBL5162456 0.98 BBOX1 (0.35) BBOX1
Water SCHEMBL22773556 0.97 BBOX1 (0.34) BBOX1
Betaine SCHEMBL7991073 0.88 TSHR (0.35)
SCHEMBL4056939 0.85 BBOX1 (0.53) BBOX1
SCHEMBL973803 0.80 APP (0.37)
Water SCHEMBL7896367 0.79 THRB (0.45)
SCHEMBL7770974 0.79 CES2 (0.37)
Water SCHEMBL140337 0.78 TSHR (0.41) BBOX1
SCHEMBL16788554 0.78 BBOX1 (0.38) BBOX1
SCHEMBL15830120 0.77 THRB (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414867-B1 POLYMERS AND THEIR SYNTHESIS UNILEVER PLC (GB) 2007-03-14 EP claimed
US-7153821-B2 Use of graft polymers in fabric cleaning UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC (US) 2006-12-26 US claimed
US-7041730-B2 Polymers and their synthesis UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2006-05-09 US claimed
EP-1409629-B1 USE OF GRAFT POLYMERS IN FABRIC CLEANING UNILEVER PLC (GB) 2005-10-19 EP claimed
US-20040176534-A1 Polymers and their synthesis Henkel IP & Holding GmbH (DE) 2004-09-09 US claimed
US-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof L'OREAL (FR) 2003-08-28 US claimed
US-6403073-B1 MIXTURE CONTAINING ADDITION POLYMER L'OREAL S.A. (FR) 2002-06-11 US claimed
EP-0889940-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-13 EP claimed
US-5858545-A COMPRISING AN UNSATURATED MONOMER, A POLYSILOXANE HAVING UNSATURATED END GROUPS AND ONE OR MORE NONVOLATILE CONDUCTIVITY ENHANCER SOLUBLE IN THE MONOMER AND NOT INTERFERING WITH THE COPOLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-12 US claimed
WO-1997035941-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-02 WO claimed
US-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US claimed
EP-1414867-B1 POLYMERS AND THEIR SYNTHESIS UNILEVER PLC (GB) 2007-03-14 EP disclosed
US-7153821-B2 Use of graft polymers in fabric cleaning UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC (US) 2006-12-26 US disclosed
US-7041730-B2 Polymers and their synthesis UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2006-05-09 US disclosed
EP-1409629-B1 USE OF GRAFT POLYMERS IN FABRIC CLEANING UNILEVER PLC (GB) 2005-10-19 EP disclosed
US-5858545-A COMPRISING AN UNSATURATED MONOMER, A POLYSILOXANE HAVING UNSATURATED END GROUPS AND ONE OR MORE NONVOLATILE CONDUCTIVITY ENHANCER SOLUBLE IN THE MONOMER AND NOT INTERFERING WITH THE COPOLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-12 US disclosed
WO-1997035941-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-02 WO disclosed
US-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed
EP-0532687-B1 SEMIPERMEABLE COMPOSITE MEMBRANE TNO (NL) 1996-04-17 EP disclosed
US-5348652-A Ampholytic polymer NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1994-09-20 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-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof PARN, PCNA, F13A1 BBOX1 1493/4885

“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.