SCHEMBL21608681

SCHEMBL21608681

CCCCC(CC)CCc1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(CCC(CC)CCCC)cc6F)c6nsnc56)ccc3-4)c3nsnc23)c(F)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 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
SCHEMBL18418557 0.92 BDKRB2 (0.32) —
SCHEMBL29332176 0.92 — —
SCHEMBL18418564 0.91 — —
SCHEMBL29331962 0.89 RARB (0.32) RARB
SCHEMBL22299731 0.89 RARB (0.32) RARB
SCHEMBL20975639 0.89 — —
SCHEMBL19636610 0.89 — —
SCHEMBL21608684 0.88 — —
SCHEMBL20975638 0.88 PDK2 (0.31) —
SCHEMBL17176821 0.88 — —

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-2019243216-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-26 — — WO disclosed
Send feedback