⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10453215 | 1.00 | — | — | |
| SCHEMBL28417149 | 0.70 | — | — | |
| SCHEMBL3411630 | 0.67 | — | — | |
| SCHEMBL11749101 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7848073 | 0.65 | — | — | |
| SCHEMBL3390515 | 0.65 | — | — | |
| SCHEMBL14540402 | 0.65 | — | — | |
| SCHEMBL11166425 | 0.65 | IDO1 (0.40) | — | |
| SCHEMBL14304042 | 0.64 | — | — | |
| SCHEMBL17240316 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011526-A | Combination of thiocarbamate herbicide, organophosphorus compound, antidote | ICI AMERICAS INC. (US) | 1991-04-30 | — | — | US | disclosed |
| US-4915725-A | ORGANOPHOSPHORUS COMPOUNDS PROLONG THE EFFECTIVENESS OF A SINGLE APPLICATION OF THIOCARBAMATE HERBICIDE | ICI AMERICAS, INC. (US) | 1990-04-10 | — | — | US | disclosed |