⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1773428 | 0.91 | — | — | |
| SCHEMBL757716 | 0.91 | — | — | |
| SCHEMBL175732 | 0.91 | ALDH1A1 (1.00) | — | |
| SCHEMBL27327 | 0.91 | — | — | |
| Butane SCHEMBL11780354 | 0.88 | — | — | |
| SCHEMBL9324790 | 0.87 | ALDH1A1 (0.91) | — | |
| Hydrochloric Acid SCHEMBL2260838 | 0.87 | — | — | |
| Water SCHEMBL5799352 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL9250838 | 0.87 | ALDH1A1 (0.91) | — | |
| SCHEMBL9507538 | 0.87 | ALDH1A1 (0.91) | — |
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-0256516-B1 | PROCESS FOR PREPARATION OF ALKYLENEAMINES | Tosoh Corporation (JP) | 1992-05-20 | — | — | EP | disclosed |
| US-4906782-A | Process for preparation of alkyleneamines | TOYO SODA MANUFACTURING CO., LTD. (JP) | 1990-03-06 | — | — | US | disclosed |
| EP-0256516-A2 | Process for preparation of alkyleneamines | Tosoh Corporation (JP) | 1988-02-24 | — | — | EP | disclosed |