⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3792379 | 0.79 | — | — | |
| SCHEMBL3790498 | 0.79 | — | — | |
| SCHEMBL3547275 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL6760748 | 0.72 | BRD9 (0.41) | — | |
| SCHEMBL17812986 | 0.70 | AURKA (0.32) | — | |
| SCHEMBL12561756 | 0.64 | — | — | |
| SCHEMBL19086944 | 0.63 | — | — | |
| SCHEMBL3525182 | 0.63 | TP53 (0.47) | — | |
| SCHEMBL10073021 | 0.60 | — | — | |
| SCHEMBL12012268 | 0.59 | — | — |
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 |