SCHEMBL29331973

SCHEMBL29331973

CCCCC(CC)CCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCCCCCCCCc6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(CCC(CC)CCCC)cc%10F)s9)c9nsnc89)s7)c(F)c6)cc5F)s4)c4nsnc34)s2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.34
▸ GPR3 P46089 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL16265269 0.97 ESR1 (0.32) ESR1ESR2
SCHEMBL21608685 0.96 ESR1 (0.31) ESR1ESR2
SCHEMBL20806203 0.93 — —
SCHEMBL17694366 0.93 ESR1 (0.33) RARBESR1ESR2
SCHEMBL21596530 0.91 ESR1 (0.31) ESR1ESR2
SCHEMBL21608613 0.91 SMN1; SMN2 (0.30) —
SCHEMBL17176822 0.89 — —
SCHEMBL21914655 0.89 RARB (0.31) RARB
SCHEMBL19636901 0.89 RARB (0.32) RARB
SCHEMBL21241716 0.88 SMN1; SMN2 (0.30) —

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
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
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