SCHEMBL28117772

SCHEMBL28117772

O=C(Cl)C1CCCCC1(C(=O)O)C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35

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
SCHEMBL28269295 0.94 ARG1 (0.33) CYP2C19
SCHEMBL628238 0.90 CYP2C19 (0.30) CYP2C19
SCHEMBL628180 0.84
SCHEMBL38190 0.75 CYP2C19 (0.40) CYP2C19
SCHEMBL5713334 0.74
Hydrochloric Acid SCHEMBL2494923 0.74 CYP2C19 (0.39) CYP2C19
Hydrochloric Acid SCHEMBL28459632 0.74 CYP2C19 (0.39) CYP2C19
Hydrochloric Acid SCHEMBL628239 0.74 CYP2C19 (0.39) CYP2C19
SCHEMBL27615428 0.74 CYP2C19 (0.39) CYP2C19
Cyclohexane SCHEMBL28031962 0.74 CYP2C19 (0.43) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889563-B Composite polyamide membranes derived from carboxylic acid-containing acyl halide monomers 陶氏环球技术有限责任公司 2017-03-29 CN disclosed