⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1396502 | 0.70 | — | — | |
| SCHEMBL1912968 | 0.70 | — | — | |
| SCHEMBL29695145 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28422122 | 0.68 | — | — | |
| SCHEMBL18157941 | 0.68 | — | — | |
| SCHEMBL6429790 | 0.67 | — | — | |
| SCHEMBL292468 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL4060984 | 0.65 | — | — | |
| Hydrogen Sulfide SCHEMBL27603487 | 0.65 | — | — | |
| SCHEMBL6469797 | 0.65 | CYP1B1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0049760-A2 | Heterocyclic substituted amides, their preparation and their use as antidotes in the protection against damage caused by herbicides to plants | BAYER AG (DE) | 1982-04-21 | — | — | EP | disclosed |