⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16344892 | 0.92 | — | — | |
| SCHEMBL20038895 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL197665 | 0.69 | — | — | |
| SCHEMBL974915 | 0.69 | — | — | |
| SCHEMBL7002354 | 0.67 | — | — | |
| SCHEMBL8320644 | 0.67 | — | — | |
| SCHEMBL868374 | 0.67 | — | — | |
| SCHEMBL7733268 | 0.67 | — | — | |
| SCHEMBL10208832 | 0.67 | — | — | |
| SCHEMBL2632448 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109923113-A | novel isoxazolyl ether derivatives as GABA A α 5 PAM | 豪夫迈·罗氏有限公司 | 2019-06-21 | — | — | CN | claimed |
| CN-105873927-B | 4-azaindole derivatives | 卫材R&D管理有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-105593211-A | Indol and indazol derivatives | HOFFMANN LA ROCHE | 2016-05-18 | — | — | CN | claimed |
| CN-109923113-A | novel isoxazolyl ether derivatives as GABA A α 5 PAM | 豪夫迈·罗氏有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-105873927-B | 4-azaindole derivatives | 卫材R&D管理有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-107108561-A | Heteroaryl compound as IRAK inhibitor and application thereof | 默克专利有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-105593211-A | Indol and indazol derivatives | HOFFMANN LA ROCHE | 2016-05-18 | — | — | CN | disclosed |
| CN-104039783-A | Compounds and compositions as PDGFR kinase inhibitors | IRM LLC | 2014-09-10 | — | — | CN | disclosed |