⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1345926 | 0.75 | — | — | |
| SCHEMBL3372107 | 0.69 | — | — | |
| SCHEMBL8445660 | 0.69 | — | — | |
| SCHEMBL22746031 | 0.62 | — | — | |
| Aziridine SCHEMBL29124842 | 0.60 | — | — | |
| SCHEMBL11766777 | 0.60 | HTR2C (0.42) | — | |
| Pyrrolidine SCHEMBL28135477 | 0.58 | — | — | |
| SCHEMBL14465775 | 0.58 | — | — | |
| Piperazine SCHEMBL31711465 | 0.57 | — | — | |
| SCHEMBL4328788 | 0.56 | — | — |
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-112368285-A | Pyrrolotriazine compounds and methods of inhibiting TAM kinase | 希洛斯医药品股份有限公司 | 2021-02-12 | — | — | CN | disclosed |