⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7007990 | 1.00 | — | — | |
| SCHEMBL11810823 | 1.00 | — | — | |
| SCHEMBL28599960 | 1.00 | — | — | |
| SCHEMBL497570 | 0.97 | — | — | |
| SCHEMBL8022601 | 0.91 | — | — | |
| SCHEMBL497940 | 0.88 | — | — | |
| SCHEMBL8103295 | 0.88 | — | — | |
| SCHEMBL6836209 | 0.81 | — | — | |
| SCHEMBL18741243 | 0.74 | — | — | |
| SCHEMBL28696460 | 0.66 | MEN1 (0.41) | — |
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-111566098-A | Cyclic amine derivatives and pharmaceutical use thereof | 东丽株式会社 | 2020-08-21 | — | — | CN | disclosed |