SCHEMBL21596536

SCHEMBL21596536

CCCCC(CC)CCc1ccc(-c2ccc(Cl)c3nsnc23)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL21596530 0.91 ESR1 (0.31) —
SCHEMBL18418561 0.86 RARB (0.39) SMN1; SMN2
SCHEMBL29332167 0.85 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL21608685 0.85 ESR1 (0.31) SMN1; SMN2
SCHEMBL16265269 0.84 ESR1 (0.32) SMN1; SMN2
SCHEMBL21608566 0.83 TMEM97 (0.36) KCNH2TMEM97SIGMAR1
SCHEMBL17694347 0.83 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL18418560 0.82 S1PR1 (0.38) —
SCHEMBL19636898 0.82 MMP3 (0.34) SMN1; SMN2
SCHEMBL21608681 0.82 RARB (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313311-B Liquid-crystalline medium 默克专利股份有限公司 2024-08-06 — — CN disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
EP-3810725-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2021-04-28 — — EP disclosed
CN-112313311-A Liquid-crystalline medium 默克专利股份有限公司 2021-02-02 — — CN disclosed
WO-2019243216-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-26 — — WO disclosed
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