Water

Water

SCHEMBL15375427

CCCC[N+]1(CCC)CCCC1.[OH-]

nearest known ligand 0.44

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 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL898139 0.97 NPC1 (0.34) NPC1RAB9A
SCHEMBL29107030 0.97 NPC1 (0.34) NPC1RAB9A
Hydrochloric Acid SCHEMBL15361479 0.95 NPC1 (0.33) NPC1RAB9A
Bromide SCHEMBL8912870 0.95 NPC1 (0.37) NPC1RAB9A
SCHEMBL8780686 0.95 NPC1 (0.37) NPC1RAB9A
SCHEMBL2865209 0.95 NPC1 (0.37) NPC1RAB9A
SCHEMBL24178233 0.93 NPC1 (0.33) NPC1RAB9A
Bromide SCHEMBL8780655 0.93 NPC1 (0.39) NPC1RAB9A
Iodide SCHEMBL8780654 0.93 NPC1 (0.36) NPC1RAB9A
SCHEMBL24178232 0.93 NPC1 (0.33) NPC1RAB9A

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
EP-2662332-B1 MANUFACTURING METHOD FOR FLUORINE-CONTAINING SULFONYL IMIDE SALT NIPPON SODA CO (JP) 2018-03-28 EP disclosed
US-9233849-B2 Process for producing fluorine-containing sulfonylimide salt NIPPON SODA CO., LTD. (JP) 2016-01-12 US disclosed
US-20130323155-A1 PROCESS FOR PRODUCING FLUORINE-CONTAINING SULFONYLIMIDE SALT NIPPON SODA CO., LTD. (JP) 2013-12-05 US disclosed
EP-2662332-A1 MANUFACTURING METHOD FOR FLUORINE-CONTAINING SULFONYL IMIDE SALT Nippon Soda Co., Ltd. (JP) 2013-11-13 EP disclosed