⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3885051 | 0.68 | — | — | |
| SCHEMBL3883020 | 0.68 | — | — | |
| SCHEMBL26686729 | 0.63 | — | — | |
| SCHEMBL9623507 | 0.61 | — | — | |
| SCHEMBL29441814 | 0.60 | — | — | |
| SCHEMBL1177369 | 0.60 | — | — | |
| SCHEMBL28515136 | 0.58 | — | — | |
| SCHEMBL20304711 | 0.58 | — | — | |
| SCHEMBL11250917 | 0.58 | — | — | |
| SCHEMBL29620626 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113508118-A | Fused tricyclic compounds useful as anticancer agents | 阿斯利康(瑞典)有限公司 | 2021-10-15 | — | — | CN | claimed |
| CN-113508118-A | Fused tricyclic compounds useful as anticancer agents | 阿斯利康(瑞典)有限公司 | 2021-10-15 | — | — | CN | disclosed |
| US-5817808-A | Process for preparing benzodiazepine derivatives | DONG KOOK PHARMACEUTICAL COMPANY, INC. (KR) | 1998-10-06 | — | — | US | disclosed |