SCHEMBL17952379

SCHEMBL17952379

Cc1cc(C)c(C)c(N2C(C#N)=C(C#N)N(C)[C@@H]2C)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
SCHEMBL17952361 0.86 — —
SCHEMBL17952485 0.84 — —
SCHEMBL17952176 0.83 HSD17B10 (0.36) —
SCHEMBL17952273 0.83 NPSR1 (0.38) —
SCHEMBL17952486 0.81 — —
SCHEMBL17952182 0.81 — —
SCHEMBL17952187 0.79 KDM4E (0.34) —
SCHEMBL17952174 0.78 — —
SCHEMBL17952099 0.77 AR (0.32) —
SCHEMBL17952376 0.77 CASP3 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — US disclosed
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