⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28537246 | 0.71 | TDP2 (0.31) | — | |
| SCHEMBL5741659 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL5741655 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL16026405 | 0.66 | MAPT (0.39) | — | |
| SCHEMBL31666410 | 0.65 | — | — | |
| SCHEMBL28501744 | 0.64 | — | — | |
| SCHEMBL9920588 | 0.64 | — | — | |
| SCHEMBL10172943 | 0.64 | — | — | |
| SCHEMBL8871276 | 0.60 | — | — | |
| SCHEMBL13134287 | 0.57 | — | — |
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-113698413-B | Coumarin derivative SS-590 as well as preparation method and application thereof | 山西大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-113698413-B | Coumarin derivative SS-590 as well as preparation method and application thereof | 山西大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-109761986-B | Tricyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-10-08 | — | — | CN | disclosed |
| EP-1561753-A2 | Benzo[b]chromenonapthyridin-7-one and pyrano[2',3':7,8]quino[2,3-b]Quinoxalin-7-one derivatives, process of synthesis, pharmaceutical compositions and their antitumoral properties for the treatment of cancer | Les Laboratoires Servier (FR) | 2005-08-10 | — | — | EP | disclosed |