⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423025 | 0.74 | — | — | |
| SCHEMBL8631536 | 0.74 | — | — | |
| SCHEMBL1028444 | 0.70 | — | — | |
| SCHEMBL8626433 | 0.70 | — | — | |
| SCHEMBL2643104 | 0.69 | — | — | |
| SCHEMBL8625302 | 0.69 | — | — | |
| SCHEMBL17028894 | 0.69 | — | — | |
| SCHEMBL8629930 | 0.69 | — | — | |
| SCHEMBL11353355 | 0.66 | — | — | |
| SCHEMBL796085 | 0.64 | ALDH1A1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6858605-B2 | Substituted 2,3-benzodiazepine derivatives | IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) | 2005-02-22 | — | — | US | claimed |