Water

Water

SCHEMBL140337

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

nearest known ligand 0.41

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
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL19858647 0.98 TSHR (0.42) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL165948 0.98 TSHR (0.42) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL28062403 0.97 TSHR (0.40) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL22773559 0.97 TSHR (0.41) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL15392730 0.96 TSHR (0.41) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL28590852 0.95 TSHR (0.38) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL15392417 0.94 TSHR (0.43) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL1616014 0.94 TSHR (0.41) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL15393133 0.94 TSHR (0.45) TSHRTHRBCHRM5CHRM1CHRM3
Water SCHEMBL15393059 0.93 TSHR (0.47) TSHRTHRBCHRM5CHRM1CHRM3

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

Appears in 2074 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121895501-B Thermoelectric hydrogel based on synergistic enhancement of zwitterions and polar solvents, method and application thereof TAIYUAN UNIVERSITY (CN) 2026-05-26 CN claimed
CN-121824995-B Marine antifouling conductive hydrogel and preparation method and application thereof NORTHEASTERN UNIVERSITY (CN) 2026-05-26 CN claimed
CN-122060473-A Bonding hyperbranched nanorod cementing wall-fixing agent and preparation method and application thereof 中国石油大学(华东) 2026-05-19 CN claimed
CN-122055142-A Improved pill design for administration to ruminants and uses thereof 反刍动物生物科技有限公司 2026-05-15 CN claimed
CN-121760214-B Moisture-absorbing sweat-discharging sweater fabric and preparation process thereof 昆山华阳新材料股份有限公司 2026-05-12 CN claimed
EP-4188489-B1 METHODS OF ALTERING THE SURFACE ENERGY OF COMPONENTS OF A MESH NEBULIZER ACULON INC (US) 2026-04-15 EP claimed
CN-121574388-A Eutectoid gel and preparation method and application thereof 陕西师范大学 2026-02-27 CN claimed
CN-121577878-A Microorganism label-free rapid detection system, method and application thereof 福州大学 2026-02-27 CN claimed
CN-121574483-A Cooling hydrogel and preparation method thereof 北京科技大学 2026-02-27 CN claimed
US-20260035576-A1 ANTI-FOULING COATINGS FOR ELECTROCHEMICAL BIOSENSORS UNIV MCMASTER (CA) 2026-02-05 US claimed
EP-1409629-A1 USE OF GRAFT POLYMERS IN FABRIC CLEANING UNILEVER PLC (GB) 2004-04-21 EP claimed
US-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof L'OREAL (FR) 2003-08-28 US claimed
WO-2003040218-A1 POROUS POLYMER FILMS POLYMERAT PTY LTD (AU) 2003-05-15 WO claimed
WO-2003010267-A1 USE OF POLYMERS IN FABRICS CLEANING UNILEVER PLC (GB) 2003-02-06 WO claimed
US-6403073-B1 MIXTURE CONTAINING ADDITION POLYMER L'OREAL S.A. (FR) 2002-06-11 US claimed
EP-0889940-B1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING & MFG (US) 2000-05-03 EP 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