⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26292 | 0.67 | — | — | |
| SCHEMBL3144339 | 0.67 | — | — | |
| SCHEMBL27627729 | 0.67 | — | — | |
| SCHEMBL8922890 | 0.67 | — | — | |
| SCHEMBL29080963 | 0.67 | — | — | |
| SCHEMBL2222762 | 0.67 | — | — | |
| SCHEMBL27689424 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL4552876 | 0.65 | — | — | |
| SCHEMBL28881870 | 0.65 | — | — | |
| SCHEMBL27932413 | 0.65 | — | — |
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-7244861-B2 | Benzene compound and salt thereof | EISAI CO., LTD. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20040138271-A1 | Benzene compound and salt thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1375472-A1 | BENZENE COMPOUND AND SALT THEREOF | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |