⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31035299 | 0.67 | — | — | |
| SCHEMBL6436158 | 0.65 | — | — | |
| SCHEMBL31705914 | 0.64 | — | — | |
| SCHEMBL24316650 | 0.60 | APLNR (0.31) | — | |
| SCHEMBL17014982 | 0.48 | — | — | |
| SCHEMBL15916667 | 0.48 | ANPEP (0.40) | — | |
| SCHEMBL5199147 | 0.46 | ANPEP (0.38) | — | |
| Ethylene Glycol SCHEMBL28043287 | 0.40 | — | — | |
| Alcohol SCHEMBL5359555 | 0.40 | — | — | |
| SCHEMBL15938 | 0.40 | — | — |
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-111343987-A | Macrocyclic compounds as TRK kinase inhibitors and uses thereof | 安杰斯制药公司 | 2020-06-26 | — | — | CN | disclosed |