⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31473833 | 0.90 | NNMT (0.30) | — | |
| SCHEMBL31473604 | 0.83 | NNMT (0.33) | — | |
| SCHEMBL31473731 | 0.81 | NNMT (0.30) | — | |
| SCHEMBL31473654 | 0.79 | NNMT (0.31) | — | |
| SCHEMBL30711449 | 0.79 | NNMT (0.35) | — | |
| SCHEMBL31473732 | 0.74 | NNMT (0.32) | — | |
| SCHEMBL30698661 | 0.74 | MAP4K1 (0.46) | — | |
| SCHEMBL30698659 | 0.74 | MAP4K1 (0.46) | — | |
| SCHEMBL31473839 | 0.73 | NNMT (0.31) | — | |
| SCHEMBL30698968 | 0.71 | NNMT (0.32) | — |
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-119730846-A | Kinase modulators and methods of use thereof | 神经元23公司 | 2025-03-28 | — | — | CN | disclosed |