⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7150491 | 0.79 | DGAT1 (0.39) | — | |
| SCHEMBL1629775 | 0.79 | DGAT1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL20547597 | 0.77 | DGAT1 (0.38) | — | |
| SCHEMBL226311 | 0.77 | — | — | |
| SCHEMBL135961 | 0.77 | — | — | |
| SCHEMBL240584 | 0.77 | — | — | |
| SCHEMBL5491194 | 0.77 | — | — | |
| SCHEMBL9345959 | 0.77 | DGAT1 (0.46) | — | |
| SCHEMBL18404707 | 0.76 | — | — | |
| Trifluoroacetic Acid SCHEMBL2547129 | 0.75 | DGAT1 (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 |
|---|---|---|---|---|---|---|---|
| CN-108341752-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2022-12-23 | — | — | CN | disclosed |