⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17164157 | 0.96 | PTGS1 (0.31) | — | |
| SCHEMBL17164202 | 0.95 | THRA (0.33) | — | |
| SCHEMBL15352915 | 0.92 | — | — | |
| SCHEMBL17164183 | 0.74 | HTR1A (0.33) | — | |
| SCHEMBL15352700 | 0.74 | — | — | |
| SCHEMBL17164163 | 0.74 | PARP10 (0.38) | — | |
| SCHEMBL13723500 | 0.73 | CXCR5 (0.31) | — | |
| SCHEMBL17164175 | 0.73 | PTGS1 (0.33) | — | |
| SCHEMBL22296715 | 0.72 | FFAR4 (0.35) | — | |
| SCHEMBL17164127 | 0.70 | MCHR1 (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10941122-B2 | Diaminotriazine derivatives as herbicides | BASF SE (DE) | 2021-03-09 | — | — | US | claimed |
| EP-3129359-B1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2021-03-03 | — | — | EP | claimed |
| EP-3129359-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-02-15 | — | — | EP | claimed |
| US-20170022170-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-01-26 | — | — | US | claimed |
| WO-2015155272-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2015-10-15 | — | — | WO | claimed |
| US-10941122-B2 | Diaminotriazine derivatives as herbicides | BASF SE (DE) | 2021-03-09 | — | — | US | disclosed |
| EP-3129359-B1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2021-03-03 | — | — | EP | disclosed |
| EP-3129359-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-02-15 | — | — | EP | disclosed |
| US-20170022170-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-01-26 | — | — | US | disclosed |
| WO-2015155272-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2015-10-15 | — | — | WO | disclosed |