⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1958992 | 0.69 | MCL1 (0.41) | — | |
| SCHEMBL86002 | 0.67 | — | — | |
| SCHEMBL10402393 | 0.67 | — | — | |
| SCHEMBL20724935 | 0.67 | — | — | |
| SCHEMBL18249778 | 0.66 | MCL1 (0.34) | — | |
| SCHEMBL3992204 | 0.65 | — | — | |
| SCHEMBL12582310 | 0.65 | — | — | |
| SCHEMBL9143482 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL29745047 | 0.65 | — | — | |
| SCHEMBL7627393 | 0.65 | — | — |
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-2021121294-A1 | TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2021-06-24 | — | — | WO | disclosed |