⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL231151 | 0.97 | — | — | |
| SCHEMBL3568544 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5399914 | 0.94 | — | — | |
| SCHEMBL6930011 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL27521170 | 0.89 | — | — | |
| Formaldehyde SCHEMBL21580185 | 0.89 | — | — | |
| Dimethylamine SCHEMBL27299310 | 0.87 | — | — | |
| Bicarbonate SCHEMBL1422147 | 0.85 | ALDH1A1 (0.45) | — | |
| Formamide SCHEMBL27807877 | 0.83 | — | — | |
| Carbamic Acid SCHEMBL15653675 | 0.81 | ALDH1A1 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240284907-A1 | NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES | FORTEPHEST LTD. (IL) | 2024-08-29 | — | — | US | disclosed |