SCHEMBL12986137

SCHEMBL12986137

[C-]#[N+]c1cc(F)c(C(C)C)c(F)c1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10105622 0.88 — —
SCHEMBL11960299 0.82 TRPV4 (0.31) —
SCHEMBL11960296 0.74 — —
SCHEMBL10105630 0.72 PDE2A (0.34) —
SCHEMBL8277424 0.72 RAPGEF4 (0.33) —
SCHEMBL8077990 0.70 SELL (0.33) —
SCHEMBL13100958 0.70 EIF4A3 (0.44) —
SCHEMBL23773233 0.70 AKR1C3 (0.30) —
SCHEMBL12248261 0.70 — —
SCHEMBL12868157 0.70 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809583-B2 Oxazolidine-based compound and selective androgen receptor agonist comprising same DONG-A ST CO., LTD. (KR) 2017-11-07 — — US disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 — — US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — US disclosed
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