SCHEMBL27862575

SCHEMBL27862575

CC(C)CO[PH](=O)OC(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL269435 0.78 ALDH1A1 (0.39) ALDH1A1
Isobutane SCHEMBL3983285 0.76 ALDH1A1 (0.38) ALDH1A1
Ethane SCHEMBL3987243 0.76 ALDH1A1 (0.38) ALDH1A1
Benzene SCHEMBL9001603 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28684280 0.71
SCHEMBL641075 0.69
SCHEMBL2683907 0.69
SCHEMBL28684277 0.68 CES2 (0.32) ALDH1A1
SCHEMBL21549467 0.67 ALDH1A1 (0.31) ALDH1A1
Octane SCHEMBL11647979 0.67 TRPM8 (0.40)

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-1675230-B Phosphonium and imidazolium salts and methods for their preparation CYTEC CANADA INC 2012-07-18 CN disclosed