SCHEMBL9728295

SCHEMBL9728295

CC(C(=O)OCC1CO1)=C(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MGLL Q99685 3/20 0.36

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
SCHEMBL245898 0.86 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4
SCHEMBL12219026 0.85 ALDH1A1 (0.67) ALDH1A1TP53CYP3A4MGLL
SCHEMBL7641668 0.80 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4MGLL
SCHEMBL11189256 0.80 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLL
SCHEMBL2836234 0.80 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLL
SCHEMBL543862 0.80 ALDH1A1 (0.69) ALDH1A1TP53CYP3A4MGLL
Water SCHEMBL27681480 0.78 ALDH1A1 (0.67) ALDH1A1TP53CYP3A4MGLL
SCHEMBL15617 0.77 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4MGLL
SCHEMBL11811933 0.77 ALDH1A1 (0.67) ALDH1A1TP53CYP3A4MGLL
SCHEMBL10453003 0.77 ALDH1A1 (0.67) ALDH1A1TP53CYP3A4MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141661-A Wear resistant oil additive TEXACO INC. (US) 1992-08-25 US claimed
US-5141661-A Wear resistant oil additive TEXACO INC. (US) 1992-08-25 US disclosed