SCHEMBL1897896

SCHEMBL1897896

O=P(O)(O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.45
▸ MLYCD O95822 19/20 0.42

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
SCHEMBL649474 0.82 MLYCD (0.43) FFAR2MLYCD
SCHEMBL3589382 0.77 FFAR2 (0.45) FFAR2MLYCD
SCHEMBL648775 0.73 FFAR2 (0.62) FFAR2MLYCD
SCHEMBL1897000 0.69 MLYCD (0.49) FFAR2MLYCD
SCHEMBL647661 0.68 MLYCD (0.53) MLYCD
SCHEMBL2992212 0.68 MLYCD (0.49) MLYCD
SCHEMBL648803 0.68 FFAR2 (0.54) FFAR2MLYCD
SCHEMBL647702 0.68 MLYCD (0.50) FFAR2MLYCD
SCHEMBL3589385 0.68 MLYCD (0.48) MLYCD
SCHEMBL1512402 0.68 MLYCD (0.48) MLYCD

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
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP claimed
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