⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL386050 | 0.79 | — | — | |
| SCHEMBL386415 | 0.75 | — | — | |
| SCHEMBL387173 | 0.73 | OPRM1 (0.37) | — | |
| SCHEMBL9316050 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL9600923 | 0.72 | — | — | |
| SCHEMBL386456 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL10529613 | 0.71 | LMNA (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL9645049 | 0.69 | — | — | |
| SCHEMBL9316500 | 0.68 | — | — | |
| SCHEMBL386212 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0381130-B1 | Production of alpha-unsaturated amines | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-04 | — | — | EP | 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-0381130-A2 | Production of alpha-unsaturated amines | Takeda Chemical Industries, Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |