SCHEMBL28975944

SCHEMBL28975944

CC1(C)OB(c2cnn(C(F)C(F)F)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL1989062 0.87 FFAR1 (0.50) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL875957 0.82 FFAR1 (0.51) FFAR1LPLLIPGIRAK4
SCHEMBL17815970 0.81 FFAR1 (0.50) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL19713715 0.81 FFAR1 (0.50) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL15416423 0.80 FFAR1 (0.50) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL29171601 0.80 FFAR1 (0.47) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL17005480 0.79 FFAR1 (0.52) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL17815976 0.79 FFAR1 (0.49) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL22585841 0.79 FFAR1 (0.49) FFAR1LPLLIPGIRAK4AAK1
SCHEMBL17801114 0.78 FFAR1 (0.51) FFAR1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 CN disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 CN disclosed