⚠ 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL28429183 | 0.88 | — | — | |
| Ethylenediamine SCHEMBL11896990 | 0.88 | — | — | |
| Butane SCHEMBL712996 | 0.84 | — | — | |
| SCHEMBL29592 | 0.83 | — | — | |
| Ethylamine SCHEMBL5718050 | 0.81 | — | — | |
| Propionamide SCHEMBL28844304 | 0.80 | ALOX15 (0.36) | — | |
| SCHEMBL11337548 | 0.79 | — | — | |
| SCHEMBL7120704 | 0.79 | — | — | |
| SCHEMBL2406802 | 0.79 | — | — | |
| SCHEMBL3310164 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4431438-A | HERBICIDES | CIBA-GEIGY CORPORATION (US) | 1984-02-14 | — | — | US | disclosed |
| EP-0010067-A2 | Process for influencing plant growth | CIBA-GEIGY AG (CH) | 1980-04-16 | — | — | EP | disclosed |