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SCHEMBL12119783

SCHEMBL12119783

C=C/C(C)=C\C=C\N(c1ccc(C)cc1)c1ccc(-c2cncc(-c3cncc(-c4ccc(N(/C(C=C)=C/C=C/C)c5ccc(C)cc5)cc4)c3)c2)cc1

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
SCHEMBL12134971 0.85 HDAC1 (0.33) —
SCHEMBL11932372 0.71 TRPM8 (0.40) —
SCHEMBL14463341 0.69 PDK2 (0.34) —
SCHEMBL14463352 0.68 PDK2 (0.41) —
SCHEMBL20814556 0.68 TRPM8 (0.38) —
SCHEMBL13136685 0.66 KCNH2 (0.32) —
SCHEMBL23393456 0.65 HSD17B1 (0.33) —
SCHEMBL22166725 0.64 ALDH1A1 (0.31) —
SCHEMBL23018689 0.64 ALDH1A1 (0.31) —
SCHEMBL18400777 0.64 NPSR1 (0.36) —

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-8057921-B2 Ambipolar host in organic light emitting diode NITTO DENKO CORPORATION (JP) 2011-11-15 — — US disclosed
US-8057921-B2 Ambipolar host in organic light emitting diode NITTO DENKO CORPORATION (JP) 2011-11-15 — — US disclosed
US-20100213832-A1 AMBIPOLAR HOST IN ORGANIC LIGHT EMITTING DIODE NITTO DENKO CORPORATION (JP) 2010-08-26 — — US disclosed
US-20100213832-A1 AMBIPOLAR HOST IN ORGANIC LIGHT EMITTING DIODE NITTO DENKO CORPORATION (JP) 2010-08-26 — — US disclosed
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