SCHEMBL8601776

SCHEMBL8601776

C=CCc1cc(-c2ccc(C#CCCCC(C)F)cc2)ccc1-c1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.31

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
SCHEMBL8601487 0.90 SQOR (0.32)
SCHEMBL8602621 0.85 SQOR (0.31)
SCHEMBL8597104 0.85 CYP2D6 (0.31) PTAFR
SCHEMBL8599902 0.82
SCHEMBL8602905 0.81 PTAFR (0.37) PTAFR
SCHEMBL8603316 0.79 PTAFR (0.31) PTAFR
SCHEMBL8600956 0.78 PTAFR (0.40) PTAFR
SCHEMBL7552497 0.77
SCHEMBL8604574 0.77 ALDH1A1 (0.33)
SCHEMBL7559816 0.77 ALDH1A1 (0.33)

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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed