⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22081149 | 0.84 | — | — | |
| SCHEMBL861349 | 0.82 | — | — | |
| SCHEMBL4468515 | 0.82 | — | — | |
| Bromide SCHEMBL27556760 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27797667 | 0.80 | — | — | |
| SCHEMBL8862803 | 0.80 | SMN1; SMN2 (0.39) | — | |
| Phosphine SCHEMBL5818642 | 0.80 | — | — | |
| Bromide SCHEMBL27556759 | 0.78 | — | — | |
| SCHEMBL27493184 | 0.72 | — | — | |
| SCHEMBL29142819 | 0.69 | — | — |
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-113264935-A | Pyridylamine-substituted heterotricyclic compound, intermediate and medical application thereof | 上海海雁医药科技有限公司 | 2021-08-17 | — | — | CN | disclosed |