⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10184778 | 1.00 | — | — | |
| SCHEMBL8568699 | 0.81 | — | — | |
| SCHEMBL4828045 | 0.79 | — | — | |
| SCHEMBL1600771 | 0.77 | — | — | |
| SCHEMBL22465749 | 0.75 | — | — | |
| SCHEMBL1427278 | 0.75 | — | — | |
| SCHEMBL15540874 | 0.75 | — | — | |
| SCHEMBL12097954 | 0.75 | — | — | |
| SCHEMBL29751734 | 0.75 | — | — | |
| SCHEMBL17336662 | 0.75 | KMT2A (0.36) | — |
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-116731038-A | Nitrogen-containing heterocyclic compound, and preparation method and application thereof | 苏州亚盛药业有限公司 | 2023-09-12 | — | — | CN | disclosed |