⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12433542 | 0.85 | — | — | |
| SCHEMBL12433543 | 0.79 | — | — | |
| SCHEMBL12433540 | 0.73 | — | — | |
| SCHEMBL15505319 | 0.63 | — | — | |
| SCHEMBL15505300 | 0.63 | — | — | |
| SCHEMBL10854454 | 0.54 | — | — | |
| SCHEMBL19245740 | 0.52 | — | — | |
| SCHEMBL14129273 | 0.49 | KMT2A (0.42) | — | |
| SCHEMBL615573 | 0.48 | MEN1 (0.31) | — | |
| Methane SCHEMBL1176537 | 0.46 | ALOX15 (0.30) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7981324-B2 | Oxocarbon-, pseudooxocarbon- and radialene compounds and their use | NOVALED AG (DE) | 2011-07-19 | — | — | US | disclosed |
| US-20080265216-A1 | Use as doping agent for doping organic semiconductive matrix material, as blocker material, as charge injection layer, as electrode material as well as organic semiconductor, electronic component; 1,3-Bi(dicyanomethylene)indane-2-ylidene-bis(4-oxo-[3,5-di-t-butyl]-2,5-cyclohexadienylidene)cyclopropane | NOVALED AG (DE) | 2008-10-30 | — | — | US | disclosed |