⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30740038 | 0.91 | — | — | |
| SCHEMBL29197979 | 0.75 | BACE1 (0.31) | — | |
| SCHEMBL3339154 | 0.60 | — | — | |
| SCHEMBL23910454 | 0.54 | MAPK1 (0.35) | — | |
| SCHEMBL18367452 | 0.54 | CNR1 (0.41) | — | |
| SCHEMBL27153733 | 0.54 | MAPK1 (0.35) | — | |
| SCHEMBL20567 | 0.52 | — | — | |
| SCHEMBL13713474 | 0.52 | — | — | |
| SCHEMBL19953509 | 0.52 | — | — | |
| SCHEMBL29197978 | 0.52 | HRH4 (0.42) | — |
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-117417328-A | Triazine compound for reversing anticoagulant activity of low-molecular heparin, and preparation method and application thereof | 中国药科大学 | 2024-01-19 | — | — | CN | disclosed |