⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3418682 | 0.76 | — | — | |
| SCHEMBL16176163 | 0.76 | — | — | |
| SCHEMBL16176202 | 0.76 | — | — | |
| Tetrahydrothiophene SCHEMBL2801108 | 0.71 | — | — | |
| Cyclopropane SCHEMBL247293 | 0.71 | — | — | |
| Cyclohexane SCHEMBL11564271 | 0.71 | ALDH1A1 (0.30) | — | |
| Cycloheptane SCHEMBL4048765 | 0.71 | ALDH1A1 (0.30) | — | |
| Cyclopentane SCHEMBL661225 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL20722135 | 0.71 | — | — | |
| Cyclopropane SCHEMBL10596924 | 0.71 | — | — |
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-20230312478-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2023-10-05 | — | — | US | disclosed |
| EP-4192827-A1 | HERBICIDAL COMPOUNDS | Syngenta Crop Protection AG (CH) | 2023-06-14 | — | — | EP | disclosed |