⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24701847 | 0.85 | TRPA1 (0.41) | — | |
| SCHEMBL330763 | 0.66 | ACHE (0.33) | — | |
| SCHEMBL16767910 | 0.65 | SHBG (0.36) | — | |
| SCHEMBL10031072 | 0.65 | SHBG (0.36) | — | |
| SCHEMBL7363310 | 0.63 | — | — | |
| SCHEMBL18611197 | 0.63 | — | — | |
| SCHEMBL685314 | 0.63 | — | — | |
| SCHEMBL18611198 | 0.63 | — | — | |
| SCHEMBL12126946 | 0.63 | — | — | |
| SCHEMBL254832 | 0.63 | — | — |
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-2298901-B1 | Novel herbicide resistance genes | DOW AGROSCIENCES LLC (US) | 2013-03-06 | — | — | EP | disclosed |