⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22725374 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL22087290 | 0.71 | KRAS (0.36) | — | |
| SCHEMBL21912130 | 0.71 | KRAS (0.36) | — | |
| SCHEMBL25021702 | 0.70 | — | — | |
| SCHEMBL28793516 | 0.68 | KRAS (0.47) | — | |
| SCHEMBL22725282 | 0.66 | KRAS (0.57) | — | |
| SCHEMBL22087714 | 0.65 | KRAS (0.47) | — | |
| SCHEMBL21912768 | 0.63 | — | — | |
| SCHEMBL21896256 | 0.61 | — | — | |
| SCHEMBL21896283 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020238791-A1 | HYDROPYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-12-03 | — | — | WO | disclosed |