⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19941551 | 0.92 | — | — | |
| SCHEMBL19938665 | 0.83 | P2RX4 (0.30) | — | |
| SCHEMBL19938314 | 0.82 | CES2 (0.30) | — | |
| SCHEMBL19938470 | 0.82 | P2RX4 (0.33) | — | |
| SCHEMBL19938383 | 0.81 | HSP90AA1 (0.40) | — | |
| SCHEMBL17910242 | 0.80 | P2RX4 (0.38) | — | |
| SCHEMBL17910245 | 0.80 | P2RX4 (0.38) | — | |
| SCHEMBL17915745 | 0.80 | P2RX4 (0.38) | — | |
| SCHEMBL19938490 | 0.80 | PDE6D (0.38) | — | |
| SCHEMBL19938440 | 0.79 | P2RX4 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11653565-B2 | Polycyclic aromatic compound | KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) | 2023-05-16 | — | — | US | disclosed |
| US-11653565-B2 | Polycyclic aromatic compound | KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) | 2023-05-16 | — | — | US | disclosed |
| US-20200220083-A1 | POLYCYCLIC AROMATIC COMPOUND | KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) | 2020-07-09 | — | — | US | disclosed |
| US-20180069182-A1 | POLYCYCLIC AROMATIC COMPOUND | KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) | 2018-03-08 | — | — | US | disclosed |