⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12982256 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL25080671 | 0.74 | LMNA (0.40) | — | |
| SCHEMBL25522071 | 0.74 | — | — | |
| SCHEMBL29307253 | 0.73 | — | — | |
| SCHEMBL17295373 | 0.71 | — | — | |
| SCHEMBL1608194 | 0.71 | — | — | |
| SCHEMBL12982357 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL24800524 | 0.70 | — | — | |
| SCHEMBL21789844 | 0.70 | — | — | |
| SCHEMBL23613123 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11084818-B2 | Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use | HEPO PHARMACEUTICAL CO., LTD. (CN) | 2021-08-10 | — | — | US | disclosed |
| US-20200062758-A1 | Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use | HEPO PHARMACEUTICAL CO., LTD. (CN) | 2020-02-27 | — | — | US | disclosed |