SCHEMBL21361142

SCHEMBL21361142

Cc1c(C)c(C)c(N2c3c(C#N)cc(C#N)cc3N(C)[C@@H]2C)c(C)c1C

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
SCHEMBL17952635 0.92 — —
SCHEMBL17952281 0.89 — —
SCHEMBL17952276 0.89 — —
SCHEMBL17952280 0.88 — —
SCHEMBL17952602 0.87 — —
SCHEMBL17952114 0.86 — —
SCHEMBL21361161 0.85 TSHR (0.33) —
SCHEMBL17952240 0.84 — —
SCHEMBL17952633 0.83 — —
SCHEMBL17952387 0.83 — —

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-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
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