Water

Water

SCHEMBL2779683

CCC(O)[N+](C)(C)C(O)CC.[OH-]

nearest known ligand 0.39

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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
TSHR P16473 3/20 0.39

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
SCHEMBL6832659 0.97 TSHR (0.41) TSHR
SCHEMBL6691192 0.81 TSHR (0.42) TSHR
Water SCHEMBL319030 0.80
Water SCHEMBL2780526 0.80 TSHR (0.39) TSHR
Water SCHEMBL16987408 0.78 TSHR (0.37) TSHR
SCHEMBL28376772 0.77 TSHR (0.32) TSHR
Water SCHEMBL2779346 0.76 TSHR (0.41) TSHR
SCHEMBL98071 0.76
SCHEMBL6834549 0.76 TSHR (0.41) TSHR
Hydrochloric Acid SCHEMBL29086616 0.75 TSHR (0.30) TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568955-B2 Composition for formation of top antireflective film, and pattern formation method using the composition Electronic Materials USA Corp. (US) 2013-10-29 US disclosed
EP-2233977-B1 COMPOSITION FOR FORMATION OF TOP ANTIREFLECTIVE FILM, AND PATTERN FORMATION METHOD USING THE COMPOSITION AZ ELECTRONIC MATERIALS USA (US) 2012-07-11 EP disclosed
US-20100286318-A1 COMPOSITION FOR FORMATION OF TOP ANTIREFLECTIVE FILM, AND PATTERN FORMATION METHOD USING THE COMPOSITION MERCK PATENT GMBH (DE) 2010-11-11 US disclosed
EP-2233977-A1 COMPOSITION FOR FORMATION OF TOP ANTIREFLECTIVE FILM, AND PATTERN FORMATION METHOD USING THE COMPOSITION AZ Electronic Materials (Japan) K.K. (JP) 2010-09-29 EP disclosed