SCHEMBL12732816

SCHEMBL12732816

[C-]#[N+]/C(C#N)=c1\cc/c(=C(/C#N)[N+]#[C-])c2c1=CCC=2

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
SCHEMBL12732806 0.80 — —
SCHEMBL11910105 0.72 KDM4E (0.34) —
SCHEMBL11910093 0.72 — —
SCHEMBL11910100 0.72 — —
SCHEMBL10160589 0.72 — —
SCHEMBL10160599 0.69 — —
SCHEMBL11910101 0.69 HKDC1 (0.32) —
SCHEMBL13020824 0.66 AR (0.30) —
SCHEMBL11910095 0.65 MEN1 (0.31) —
SCHEMBL11910096 0.65 — —

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-7919195-B2 Organic electroluminescent diode having a hole injection layer; mobile phone, digital camera, PDA (personal data assistant), notebook computer, desktop computer, television, car display, or portable DVD player CHIMEI INNOLUX CORPORATION (TW) 2011-04-05 — — US disclosed
US-20080171228-A1 SYSTEM FOR DISPLAYING IMAGES TPO DISPLAYS CORP. (TW) 2008-07-17 — — US disclosed
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