⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16890970 | 0.91 | — | — | |
| SCHEMBL23916105 | 0.91 | — | — | |
| SCHEMBL16889391 | 0.90 | — | — | |
| SCHEMBL23915709 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL21846212 | 0.89 | — | — | |
| SCHEMBL16890020 | 0.87 | MAOA (0.34) | — | |
| SCHEMBL16889977 | 0.86 | — | — | |
| SCHEMBL16889532 | 0.85 | MAPT (0.33) | — | |
| SCHEMBL21846204 | 0.84 | — | — | |
| SCHEMBL20375933 | 0.84 | — | — |
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 |