SCHEMBL25940397

SCHEMBL25940397

O=C(O)[C@H]1CC1COC(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.47
GABRR2 P28476 1/20 0.47
FFAR4 Q5NUL3 16/20 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
SCHEMBL16699932 0.86 GABRR1 (0.36) GABRR1GABRR2FFAR4
SCHEMBL16708918 0.86 GABRR1 (0.36) GABRR1GABRR2FFAR4
SCHEMBL16700809 0.86 GABRR1 (0.36) GABRR1GABRR2FFAR4
SCHEMBL13323636 0.80 GABRR1 (0.47) GABRR1GABRR2FFAR4
SCHEMBL13323586 0.80 GABRR1 (0.47) GABRR1GABRR2FFAR4
SCHEMBL6409587 0.73 FFAR4 (0.49) GABRR1GABRR2FFAR4
SCHEMBL2684842 0.72
SCHEMBL21570125 0.72 GABRR1 (0.52) GABRR1GABRR2FFAR4
SCHEMBL29132884 0.72 GABRR1 (0.52) GABRR1GABRR2FFAR4
SCHEMBL21570217 0.72 GABRR1 (0.52) GABRR1GABRR2FFAR4

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
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed