⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11274696 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11281907 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11281909 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7010889 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11270727 | 0.97 | — | — | |
| SCHEMBL4499418 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11227103 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11227105 | 0.76 | — | — | |
| SCHEMBL21736980 | 0.72 | — | — | |
| SCHEMBL21737640 | 0.70 | ALDH1A1 (0.35) | — |
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-0053038-A2 | 3-Amino-2-alkenylimidates, their preparation and conversion to herbicide intermediates | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-06-02 | — | — | EP | claimed |
| EP-0053038-A2 | 3-Amino-2-alkenylimidates, their preparation and conversion to herbicide intermediates | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-06-02 | — | — | EP | disclosed |