⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27880625 | 0.72 | — | — | |
| SCHEMBL8171641 | 0.72 | — | — | |
| SCHEMBL13553143 | 0.69 | GBA1 (0.31) | — | |
| SCHEMBL14310977 | 0.67 | — | — | |
| SCHEMBL14303107 | 0.67 | — | — | |
| SCHEMBL13647069 | 0.67 | — | — | |
| SCHEMBL5159410 | 0.67 | — | — | |
| SCHEMBL28062438 | 0.65 | — | — | |
| SCHEMBL6173075 | 0.65 | — | — | |
| SCHEMBL4268291 | 0.64 | TSHR (0.37) | — |
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-3412663-B1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2022-09-07 | — | — | EP | disclosed |