⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10663202 | 0.67 | TRPA1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL1353085 | 0.67 | TRPA1 (0.47) | — | |
| SCHEMBL78328 | 0.64 | — | — | |
| SCHEMBL31414859 | 0.64 | — | — | |
| SCHEMBL332543 | 0.64 | — | — | |
| Isopropyl Isothiocyanate SCHEMBL213474 | 0.64 | — | — | |
| SCHEMBL10051744 | 0.64 | — | — | |
| Carbimide SCHEMBL14718656 | 0.62 | TRPA1 (0.42) | — | |
| SCHEMBL9498704 | 0.62 | — | — | |
| SCHEMBL7642243 | 0.60 | TRPA1 (0.40) | — |
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-6028033-A | FOR CONTROLLING UNDESIRED VEGETATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-22 | — | — | US | disclosed |
| WO-1996037471-A1 | N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-11-28 | — | — | WO | disclosed |