⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4008463 | 0.73 | — | — | |
| SCHEMBL13619975 | 0.73 | — | — | |
| SCHEMBL1778868 | 0.72 | — | — | |
| SCHEMBL9285137 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL10454706 | 0.69 | — | — | |
| SCHEMBL92211 | 0.69 | — | — | |
| SCHEMBL3594958 | 0.68 | — | — | |
| SCHEMBL6235669 | 0.67 | — | — | |
| SCHEMBL2761532 | 0.67 | — | — | |
| SCHEMBL17014876 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381130-B1 | Production of alpha-unsaturated amines | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-04 | — | — | EP | disclosed |
| EP-0615688-B1 | An industrial microbicide and a method for killing microbes for industrial use | KATAYAMA CHEMICAL WORKS CO (JP) | 1997-11-12 | — | — | EP | disclosed |
| US-5397804-A | A-chlorobenzaldoxime, papermaking | KATAYAMA CHEMICAL INCORPORATED (JP) | 1995-03-14 | — | — | US | disclosed |
| US-5364989-A | Reaction of vinylidene chloride with nitric acid and hydrogen chloride | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-11-15 | — | — | US | disclosed |
| EP-0615688-A1 | An industrial microbicide and a method for killing microbes for industrial use | KATAYAMA CHEMICAL, INC. (JP) | 1994-09-21 | — | — | EP | disclosed |
| EP-0381130-A2 | Production of alpha-unsaturated amines | Takeda Chemical Industries, Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |