⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12236459 | 1.00 | — | — | |
| SCHEMBL12200303 | 0.80 | — | — | |
| SCHEMBL12236460 | 0.80 | — | — | |
| SCHEMBL17490275 | 0.75 | — | — | |
| SCHEMBL14016730 | 0.72 | TDP2 (0.31) | — | |
| SCHEMBL14791104 | 0.71 | — | — | |
| SCHEMBL9292686 | 0.67 | — | — | |
| SCHEMBL14791108 | 0.67 | DUSP3 (0.38) | — | |
| SCHEMBL15910085 | 0.63 | TDP2 (0.32) | — | |
| SCHEMBL30433929 | 0.63 | TDP2 (0.32) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110240982-A1 | BENZOINDENOCHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME | CANON KABUSHIKI KAISHA (JP) | 2011-10-06 | — | — | US | disclosed |