⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27912664 | 1.00 | — | — | |
| Benzene SCHEMBL122062 | 0.89 | — | — | |
| Benzene SCHEMBL29269525 | 0.89 | — | — | |
| Benzene SCHEMBL9480737 | 0.89 | TSHR (0.75) | — | |
| Benzene SCHEMBL2110668 | 0.89 | — | — | |
| Benzene SCHEMBL692782 | 0.89 | — | — | |
| Benzene SCHEMBL1599796 | 0.80 | TP53 (0.60) | — | |
| Benzene SCHEMBL1050431 | 0.80 | — | — | |
| Benzene SCHEMBL28402610 | 0.80 | TP53 (0.60) | — | |
| Benzene SCHEMBL29159283 | 0.80 | TP53 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1553135-A1 | A HEAVY MAETAL CHELATE COMPOSITION CONTAINING CHITOSAN DERIVATIVES AND USES THEREOF | Shandong Meilinya Bio-Tech Co. Ltd. (CN) | 2005-07-13 | — | — | EP | disclosed |