⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13965010 | 0.66 | — | — | |
| SCHEMBL428490 | 0.62 | — | — | |
| SCHEMBL1564364 | 0.62 | — | — | |
| SCHEMBL8379802 | 0.58 | — | — | |
| SCHEMBL11488691 | 0.58 | — | — | |
| SCHEMBL9042700 | 0.58 | — | — | |
| SCHEMBL1692326 | 0.57 | — | — | |
| SCHEMBL1692120 | 0.54 | ALDH1A1 (0.31) | — | |
| SCHEMBL11023446 | 0.53 | — | — | |
| SCHEMBL1149596 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2241567-A1 | BICYCLOAMINE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2010-10-20 | — | — | EP | disclosed |