SCHEMBL9502430

SCHEMBL9502430

CCCCc1c(F)c(F)c(-c2c(F)c(F)c(OC(=O)[C@H]3CC[C@H](CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL9502433 1.00 POLB (0.30) POLBHPGDKDM4ETSHRSMN1; SMN2
SCHEMBL9503337 0.95 THRA (0.33)
SCHEMBL9503330 0.95 THRA (0.33)
SCHEMBL9505822 0.91 POLB (0.34) POLBHPGD
SCHEMBL9506496 0.91 POLB (0.40) POLBHPGD
SCHEMBL9506489 0.91 POLB (0.40) POLBHPGD
SCHEMBL9505831 0.91 POLB (0.34) POLBHPGD
SCHEMBL9502586 0.90 PKM (0.41) POLBHPGD
SCHEMBL9502582 0.90 PKM (0.41) POLBHPGD
SCHEMBL9506503 0.89 HTT (0.42) POLBHPGDTSHRSMN1; SMN2

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
EP-0364548-B1 OCTAFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-06-09 EP disclosed
EP-0364548-A1 OCTAFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-25 EP disclosed
WO-1989009203-A1 OCTAFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-10-05 WO disclosed