Water

Water

SCHEMBL35582

C[N+](C)(C)c1ccccc1.[OH-]

nearest known ligand 0.88

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
APOBEC3A P31941 1/20 0.88
APOBEC3G Q9HC16 1/20 0.88
ACHE P22303 8/20 0.46
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.37
ALOX12 P18054 1/20 0.37
BCHE P06276 2/20 0.32
CA4 P22748 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30

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
Phosphine SCHEMBL27465237 0.97 APOBEC3A (0.82) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Water SCHEMBL28744902 0.97 APOBEC3A (0.82) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
SCHEMBL12020269 0.97 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
SCHEMBL147815 0.97 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Water SCHEMBL27482461 0.94 APOBEC3A (0.78) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Methyl Alcohol SCHEMBL27917656 0.94 APOBEC3A (0.78) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL238552 0.93 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Iodide SCHEMBL238393 0.93 APOBEC3A (1.00) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL10995909 0.93 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL80469 0.93 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1

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 3465 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291655-B2 Polishing composition and method of polishing a substrate having enhanced defect reduction DuPont Electronic Materials Holding, Inc. (US) 2025-05-06 US claimed
US-20250096297-A1 NOVEL AQUEOUS-PHASE REDOX FLOW BATTERIES UNIVERSITE DE RENNES (FR) 2025-03-20 US claimed
CN-119574744-A Method for rapidly determining volatile organic acid in electronic atomized liquid 东莞市鸿馥生物科技有限公司 2025-03-07 CN claimed
US-20250066968-A1 METHOD FOR DEGUMMING AND DECOLORIZING POLYESTER FABRIC NAN YA PLASTICS CORPORATION (TW) 2025-02-27 US claimed
CN-119507194-A Method for removing glue and decoloring polyester fabric 南亚塑胶工业股份有限公司 2025-02-25 CN claimed
CN-119490194-A Method for synthesizing CHA molecular sieve from coal gangue 中国科学院大连化学物理研究所 2025-02-21 CN claimed
CN-119489188-A Preparation method of few-layer MXene coated titanium composite powder 中国科学院过程工程研究所 2025-02-21 CN claimed
CN-119199141-A Sweetener thermal cracking analysis method and application thereof 东莞市鸿馥生物科技有限公司 2024-12-27 CN claimed
CN-119126507-A Photoresist stripping liquid, preparation method and application thereof 浙江奥首材料科技有限公司 2024-12-13 CN claimed
EP-4470056-A1 NOVEL AQUEOUS-PHASE REDOX FLOW BATTERIES Kemiwatt (FR) 2024-12-04 EP claimed
EP-0364895-A1 Positive type photoresist developer MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-25 EP claimed
CN-1040572-A The preparation method and the goods thereof of pottery GRACE W R & CO (US) 1990-03-21 CN claimed
EP-0355252-A2 Manufacturing method for ceramics and products thereof W.R. Grace & Co.-Conn. (US) 1990-02-28 EP claimed
CN-1031829-A The production method of superconducting ceramics and products thereof GRACE W R & CO (US) 1989-03-22 CN claimed
EP-0306973-A2 Manufacturing method for superconducting ceramics and products thereof W.R. Grace & Co.-Conn. (US) 1989-03-15 EP claimed
US-4744834-A Photoresist stripper comprising a pyrrolidinone, a diethylene glycol ether, a polyglycol and a quaternary ammonium hydroxide VERSUM MATERIALS US, LLC 1988-05-17 US claimed
US-4377529-A CHEMICAL INTERMEDIATES IN PRODUCTION OF NICKEL YLIDE CATALYSTS FOR OLIGOMERIZATION OF ETHYLENE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1983-03-22 US claimed
EP-0052929-A1 Sulfonated group VA ylides and process for preparing same GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-06-02 EP claimed
EP-0046628-A2 Process for the preparation of nickel ylides containing directly sulfonated ylide ligands GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-03-03 EP claimed
EP-0042659-A1 5,6,6a,7-Tetrahydro-4H-dibenz(de,g)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1981-12-30 EP claimed