SCHEMBL25438435

SCHEMBL25438435

CC(CC#N)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.51

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
SCHEMBL25894629 1.00 VDR (0.51) VDR
SCHEMBL25438430 1.00 VDR (0.51) VDR
SCHEMBL8091621 0.89 VDR (0.54) VDR
SCHEMBL8090252 0.89 VDR (0.56) VDR
SCHEMBL25895008 0.89 VDR (0.56) VDR
SCHEMBL25314638 0.89 VDR (0.56) VDR
SCHEMBL25314634 0.89 VDR (0.56) VDR
SCHEMBL25410122 0.88 VDR (0.53) VDR
SCHEMBL25410119 0.88 VDR (0.53) VDR
SCHEMBL25894696 0.88 VDR (0.53) 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
WO-2023171801-A1 CRYSTALS OF VITAMIN D DERIVATIVE OR CRYSTALS OF SOLVATE THEREOF 帝人ファーマ株式会社 2023-09-14 — — WO disclosed
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