⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL561549 | 0.81 | — | — | |
| Bromide SCHEMBL10490882 | 0.77 | — | — | |
| SCHEMBL29992476 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL20629744 | 0.75 | LMNA (0.31) | — | |
| SCHEMBL6602897 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL10460556 | 0.74 | — | — | |
| SCHEMBL20852825 | 0.73 | MEN1 (0.52) | — | |
| SCHEMBL2580446 | 0.70 | — | — | |
| SCHEMBL5940256 | 0.70 | MEN1 (0.46) | — | |
| SCHEMBL18403713 | 0.70 | TDP1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-115057861-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-16 | — | — | CN | disclosed |
| WO-2022034313-A1 | NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF | UNIVERSITY OF HUDDERSFIELD (GB) | 2022-02-17 | — | — | WO | disclosed |
| EP-1062212-B1 | HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES | PHARMACIA ITALIA SPA (IT) | 2004-05-12 | — | — | EP | disclosed |
| US-6316451-B1 | AMYLOIDOSIS | PHARMACIA & UPJOHN S.P.A. (IT) | 2001-11-13 | — | — | US | disclosed |
| EP-1062212-A1 | HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES | PHARMACIA & UPJOHN S.p.A. (IT) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999046253-A1 | HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-09-16 | — | — | WO | disclosed |