⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28060372 | 0.76 | — | — | |
| SCHEMBL173628 | 0.74 | F2 (0.46) | — | |
| SCHEMBL4184592 | 0.74 | — | — | |
| SCHEMBL9821780 | 0.74 | — | — | |
| SCHEMBL9324320 | 0.74 | — | — | |
| SCHEMBL28868986 | 0.74 | — | — | |
| SCHEMBL1107562 | 0.74 | PKM (0.51) | — | |
| SCHEMBL18007535 | 0.74 | F2 (0.42) | — | |
| SCHEMBL18464502 | 0.71 | F2 (0.44) | — | |
| SCHEMBL28621632 | 0.71 | F2 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137603-B | Azetidine derivatives, preparation method and the usage | 四川科伦博泰生物医药股份有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-105669558-B | Benzyl -1H- pyrazoles, benzyl -1H- azole derivatives and its preparation method and application | 四川大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-108137603-A | Azetidine derivatives, preparation method and the usage | 四川科伦博泰生物医药股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-104955824-B | It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M | 豪夫迈·罗氏有限公司 | 2017-09-22 | — | — | CN | disclosed |