⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3160778 | 0.75 | — | — | |
| SCHEMBL233273 | 0.75 | — | — | |
| SCHEMBL11847562 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5392465 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4732262 | 0.72 | — | — | |
| SCHEMBL14530353 | 0.69 | — | — | |
| SCHEMBL945654 | 0.69 | — | — | |
| SCHEMBL751015 | 0.69 | — | — | |
| SCHEMBL12808218 | 0.69 | — | — | |
| SCHEMBL1556023 | 0.67 | ALDH1A1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110184188-A1 | Insecticidal Benzenedicarboxamide Derivative | BAYER CROPSCIENCE AG (DE) | 2011-07-28 | — | — | US | disclosed |
| EP-2318374-A2 | INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE | Bayer CropScience AG (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010012442-A2 | INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE | BAYER CROPSCIENCE AG (DE) | 2010-02-04 | — | — | WO | disclosed |
| US-4919708-A | Haloalkyl triazolinones and herbicidal use thereof | FMC CORPORATION (US) | 1990-04-24 | — | — | US | disclosed |
| EP-0221083-A1 | HALOALKYL TRIAZOLINONES | FMC Corporation (US) | 1987-05-13 | — | — | EP | disclosed |
| WO-1986004481-A2 | HALOALKYL TRIAZOLINONES | FMC CORPORATION (US) | 1986-08-14 | — | — | WO | disclosed |