⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468941 | 0.85 | — | — | |
| SCHEMBL2123340 | 0.76 | — | — | |
| SCHEMBL1613021 | 0.76 | — | — | |
| SCHEMBL24710858 | 0.76 | — | — | |
| SCHEMBL19135319 | 0.76 | — | — | |
| SCHEMBL11405351 | 0.74 | GRM5 (0.44) | — | |
| SCHEMBL17809498 | 0.73 | — | — | |
| SCHEMBL15241812 | 0.73 | — | — | |
| SCHEMBL13575139 | 0.73 | HCAR2 (0.36) | — | |
| SCHEMBL12261742 | 0.73 | HCAR2 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4256480-A | Isoxazolyl-alkyl thiocarbamates and herbicidal compositions thereof | PHILAGRO (FR) | 1981-03-17 | — | — | US | disclosed |
| US-4212861-A | PESTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1980-07-15 | — | — | US | disclosed |
| US-4199506-A | REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES | MONSANTO COMPANY (US) | 1980-04-22 | — | — | US | disclosed |
| US-4124591-A | HERBICIDES, PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | disclosed |