⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17110519 | 0.81 | — | — | |
| SCHEMBL17110494 | 0.76 | — | — | |
| SCHEMBL17110672 | 0.75 | FFAR4 (0.31) | — | |
| SCHEMBL5345536 | 0.74 | — | — | |
| SCHEMBL17110602 | 0.74 | — | — | |
| SCHEMBL17164322 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL17110614 | 0.71 | FFAR4 (0.31) | — | |
| SCHEMBL17110657 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL17110495 | 0.70 | — | — | |
| SCHEMBL24533487 | 0.69 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3129358-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-02-15 | — | — | EP | claimed |
| US-20170029383-A1 | Diaminotriazine Derivatives as Herbicides | BASF SE (DE) | 2017-02-02 | — | — | US | claimed |
| WO-2015155271-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2015-10-15 | — | — | WO | claimed |
| US-20170101383-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-04-13 | — | — | US | disclosed |
| EP-3129358-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-02-15 | — | — | EP | disclosed |
| US-20170029383-A1 | Diaminotriazine Derivatives as Herbicides | BASF SE (DE) | 2017-02-02 | — | — | US | disclosed |
| EP-3122736-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015155271-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2015-10-15 | — | — | WO | disclosed |
| WO-2015155129-A1 | DIAMINOTRIAZINE COMPOUND | BASF SE (DE) | 2015-10-15 | — | — | WO | disclosed |
| WO-2015144881-A1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2015-10-01 | — | — | WO | disclosed |