⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10983147 | 0.91 | — | — | |
| SCHEMBL29209412 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL15665667 | 0.72 | — | — | |
| SCHEMBL28831641 | 0.71 | — | — | |
| SCHEMBL14802029 | 0.71 | KCNH2 (0.30) | — | |
| SCHEMBL13738490 | 0.70 | — | — | |
| SCHEMBL550230 | 0.70 | — | — | |
| SCHEMBL29163070 | 0.67 | — | — | |
| SCHEMBL15847851 | 0.66 | — | — | |
| SCHEMBL551587 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6723752-B2 | ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS | PHARMACIA CORPORATION | 2004-04-20 | — | — | US | claimed |
| CN-111818917-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |
| EP-0960095-B1 | 3-AMINOCARBONYL/3-AMINOTHIOCARBONYL-SUBSTITUTED 2-BENZOYL- CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | BASF AG (DE) | 2003-10-01 | — | — | EP | disclosed |