⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29657163 | 0.75 | — | — | |
| SCHEMBL29668498 | 0.75 | — | — | |
| SCHEMBL314919 | 0.75 | — | — | |
| SCHEMBL73289 | 0.75 | — | — | |
| SCHEMBL7353278 | 0.75 | — | — | |
| SCHEMBL29960628 | 0.75 | — | — | |
| SCHEMBL2288662 | 0.75 | — | — | |
| Methane SCHEMBL485560 | 0.73 | HSD17B10 (0.42) | — | |
| SCHEMBL23181526 | 0.71 | — | — | |
| SCHEMBL7411078 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021057975-A1 | MUTANT IDH2 INHIBITOR AND APPLICATION THEREOF | 贝达药业股份有限公司 | 2021-04-01 | — | — | WO | disclosed |
| EP-2307400-B1 | INHIBITORS OF PI3 KINASE | AMGEN INC (US) | 2014-04-23 | — | — | EP | disclosed |
| WO-2009155121-A2 | INHIBITORS OF PI3 KINASE | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |