⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4961209 | 0.74 | — | — | |
| SCHEMBL3221634 | 0.74 | — | — | |
| SCHEMBL8432306 | 0.69 | — | — | |
| SCHEMBL10602958 | 0.69 | — | — | |
| SCHEMBL5750466 | 0.69 | — | — | |
| SCHEMBL745646 | 0.69 | — | — | |
| SCHEMBL28563348 | 0.69 | — | — | |
| SCHEMBL126608 | 0.66 | — | — | |
| SCHEMBL30629015 | 0.66 | — | — | |
| SCHEMBL29930619 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112789035-B | Benzocycloheptene analogues and related compounds having activity as anticancer agents | 贝勒大学 | 2024-02-09 | — | — | CN | disclosed |
| CN-112789035-A | Benzocycloheptene analogs and related compounds having activity as anticancer agents | 贝勒大学 | 2021-05-11 | — | — | CN | disclosed |