⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9737 | 0.87 | — | — | |
| SCHEMBL6324774 | 0.87 | — | — | |
| Methylene Chloride SCHEMBL4784041 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL9625167 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL1832445 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL4933917 | 0.80 | ALDH1A1 (0.57) | — | |
| SCHEMBL19712763 | 0.80 | — | — | |
| Methylene Chloride SCHEMBL7090995 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL2031974 | 0.80 | ALDH1A1 (0.57) | — | |
| SCHEMBL19712734 | 0.80 | — | — |
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-5821240-A | ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS | DR. KARL THOMAE GMBH (DE) | 1998-10-13 | — | — | US | disclosed |