⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11300457 | 1.00 | — | — | |
| SCHEMBL3746748 | 1.00 | — | — | |
| SCHEMBL11162704 | 0.88 | — | — | |
| SCHEMBL264785 | 0.82 | — | — | |
| SCHEMBL1335734 | 0.82 | — | — | |
| SCHEMBL2216251 | 0.82 | — | — | |
| Bromide SCHEMBL8413149 | 0.80 | — | — | |
| SCHEMBL31281037 | 0.80 | — | — | |
| SCHEMBL1765713 | 0.80 | — | — | |
| SCHEMBL7125966 | 0.78 | — | — |
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-1017705-B | Method for preparing optically active gossypol | MEDICINE RESEARCH INST CHINESE (CN) | 1992-08-05 | — | — | CN | disclosed |
| CN-1033795-A | The method for preparing optically-active cotton phenol | MEDICINE RESEARCH INST CHINESE (CN) | 1989-07-12 | — | — | CN | disclosed |