SCHEMBL9009475

SCHEMBL9009475

F[B-](F)(F)F.N#[N+]c1ccc(CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.53
KEAP1 Q14145 1/20 0.50
FFAR4 Q5NUL3 5/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8144887 0.93 FFAR1 (0.59) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL3778952 0.82 LMNA (0.50) FFAR1CA2LMNA
SCHEMBL5367742 0.82 LMNA (0.50) FFAR1CA2LMNA
SCHEMBL5367739 0.82 LMNA (0.50) FFAR1CA2LMNA
SCHEMBL19429525 0.82 SMN1; SMN2 (0.60) FFAR1KEAP1LMNA
SCHEMBL1792657 0.78 CA2 (0.45) CA1CA2
SCHEMBL69746 0.77 FFAR1 (0.81) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL2232785 0.76
Hydrochloric Acid SCHEMBL25264643 0.74 FFAR1 (0.77) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL2232788 0.74 TAAR1 (0.48) L3MBTL1

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-5580741-A INCUBATING SAMPLE SOLUTION IN CONTAINER PRECOATED WITH ANTIBODY AND PROTEIN CONJUGATE YIELDS COMPLEXES, THEN REMOVAL AND REACTION WITH CHEMILUMINESCENT REAGENTS FOR MEASUREMENT OF LIGHT INTENSITY, FOR CHLORINATED BIPHENYLS GENERAL ELECTRIC COMPANY (US) 1996-12-03 US disclosed