⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17629781 | 0.74 | — | — | |
| SCHEMBL17629784 | 0.69 | — | — | |
| SCHEMBL6186727 | 0.69 | — | — | |
| SCHEMBL29846714 | 0.67 | HDAC1 (0.31) | — | |
| SCHEMBL17307519 | 0.65 | — | — | |
| SCHEMBL3672880 | 0.64 | — | — | |
| SCHEMBL8710295 | 0.64 | — | — | |
| SCHEMBL9267177 | 0.61 | — | — | |
| SCHEMBL6591796 | 0.59 | — | — | |
| SCHEMBL8307702 | 0.59 | — | — |
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-9371315-B2 | N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxamide salts and use thereof as herbicides | BAYER CROPSCIENCE AG (DE) | 2016-06-21 | — | — | US | disclosed |
| US-20150105253-A1 | N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDE SALTS AND USE THEREOF AS HERBICIDES | BAYER CROPSCIENCE AG (DE) | 2015-04-16 | — | — | US | disclosed |