SCHEMBL29336498

SCHEMBL29336498

CC(C)CCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCC(C)C)cc6F)s5)c5nsnc45)c4nsnc34)s2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ EGFR P00533 1/20 0.31

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
SCHEMBL20806204 0.99 ESR1 (0.36) ESR1ESR2EGFR
SCHEMBL21608712 0.92 ESR1 (0.34) ESR1ESR2
SCHEMBL22238959 0.89 ESR1 (0.33) ESR1ESR2EGFR
SCHEMBL29336586 0.88 ALOX5AP (0.32) ESR1ESR2
SCHEMBL22238926 0.88 ESR1 (0.30) ESR1ESR2
SCHEMBL20806203 0.87 — —
SCHEMBL22239082 0.87 L3MBTL1 (0.34) —
SCHEMBL29336451 0.86 — —
SCHEMBL25070556 0.86 ESR1 (0.32) ESR1ESR2EGFR
SCHEMBL25070315 0.86 ESR1 (0.38) ESR1ESR2EGFR

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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