SCHEMBL11077421

SCHEMBL11077421

CC1=C(O)C(=O)C(C)(C(=O)O)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 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
SCHEMBL11083799 0.76 POLB (0.39)
SCHEMBL20269352 0.73 ALDH1A1 (0.31)
SCHEMBL25431983 0.69
SCHEMBL21114903 0.67 FFAR3 (0.39) FFAR3
SCHEMBL31647951 0.62
SCHEMBL856999 0.62 ALDH1A1 (0.48)
SCHEMBL29596749 0.62 METAP1 (0.42)
SCHEMBL29100759 0.59 FFAR3 (0.42) FFAR3
SCHEMBL10437018 0.58 CYP1A2 (0.43) FFAR3
SCHEMBL30770833 0.58

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-4428886-A FLAVORS GIVAUDAN CORPORATION (US) 1984-01-31 US disclosed
US-4318855-A Process for the preparation of alpha-hydroxycarbonyl compounds GIVAUDAN CORPORATION (US) 1982-03-09 US disclosed