⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23916105 | 1.00 | — | — | |
| SCHEMBL23915709 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL16890972 | 0.91 | — | — | |
| SCHEMBL31340150 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL16889225 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL16889613 | 0.89 | — | — | |
| SCHEMBL23915708 | 0.88 | — | — | |
| SCHEMBL23915707 | 0.88 | — | — | |
| SCHEMBL23916100 | 0.88 | — | — | |
| SCHEMBL23915773 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345911-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL | Kwansei Gakuin Educational Foundation (JP) | 2018-07-11 | — | — | EP | disclosed |
| WO-2015102118-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2015-07-09 | — | — | WO | disclosed |