⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL26933944 | 0.71 | — | — | |
| SCHEMBL27676677 | 0.69 | — | — | |
| SCHEMBL445017 | 0.65 | MAPT (0.48) | — | |
| Hydrochloric Acid SCHEMBL7540285 | 0.64 | TAS2R38 (0.33) | — | |
| SCHEMBL28327064 | 0.64 | — | — | |
| SCHEMBL1145851 | 0.64 | — | — | |
| SCHEMBL27624078 | 0.63 | HPGD (0.36) | — | |
| Hydrochloric Acid SCHEMBL28230827 | 0.62 | — | — | |
| SCHEMBL2154177 | 0.61 | HSD17B10 (0.39) | — | |
| SCHEMBL69204 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0529680-B1 | Intermediates, their production and their use for preparing alpha-unsaturated amines | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-05-13 | — | — | EP | claimed |
| EP-0302389-B1 | Alpha-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-12-22 | — | — | EP | claimed |