⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446044 | 0.92 | GABRA1 (0.33) | — | |
| SCHEMBL1457283 | 0.82 | GABRA1 (0.31) | — | |
| SCHEMBL160448 | 0.74 | GABRA1 (0.35) | — | |
| SCHEMBL6964625 | 0.71 | GABRA1 (0.38) | — | |
| SCHEMBL30438624 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL1020714 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL2728021 | 0.70 | TDP1 (0.36) | — | |
| SCHEMBL8917308 | 0.69 | CYP3A4 (0.43) | — | |
| SCHEMBL940455 | 0.69 | GABRA1 (0.32) | — | |
| SCHEMBL28560711 | 0.68 | VCAM1 (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 |
|---|---|---|---|---|---|---|---|
| CN-106232666-A | Post-modification polycarbodiimide | 巴斯夫欧洲公司 | 2016-12-14 | — | — | CN | disclosed |