SCHEMBL22394316

SCHEMBL22394316

C=C1C(O)C/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@@H](C)CCC(F)(F)C(C)(C)O)C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.78

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
SCHEMBL18269403 1.00 VDR (0.78) VDR
SCHEMBL19288065 1.00 VDR (0.78) VDR
SCHEMBL22394324 1.00 VDR (0.78) VDR
SCHEMBL18269396 1.00 VDR (0.78) VDR
SCHEMBL16417822 1.00 VDR (0.78) VDR
SCHEMBL19288336 0.95 VDR (0.71) VDR
SCHEMBL18269402 0.94 VDR (0.76) VDR
SCHEMBL18269409 0.94 VDR (0.76) VDR
SCHEMBL22416487 0.91 VDR (0.65) VDR
SCHEMBL22416547 0.91 VDR (0.65) VDR

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-3317250-B1 (20S)-1ALPHA,25-DIHYDROXY-24,24-DIFLUORO-19-NOR-VITAMIN D3 ANALOGS AND THEIR PHARMACEUTICAL USES WISCONSIN ALUMNI RES FOUND (US) 2020-09-09 — — EP claimed
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