⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6646557 | 0.57 | — | — | |
| SCHEMBL5617154 | 0.53 | — | — | |
| SCHEMBL1451472 | 0.41 | — | — | |
| SCHEMBL11593301 | 0.36 | — | — | |
| SCHEMBL11591337 | 0.36 | — | — | |
| SCHEMBL108867 | 0.32 | — | — | |
| SCHEMBL63148 | 0.32 | — | — | |
| SCHEMBL320609 | 0.32 | MEN1 (1.00) | — | |
| SCHEMBL107641 | 0.32 | PTK2 (1.00) | — | |
| SCHEMBL561897 | 0.31 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2124567-A2 | HERBICIDE COMBINATION | Bayer CropScience AG (DE) | 2009-12-02 | — | — | EP | disclosed |
| EP-2121639-A2 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience AG (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008101588-A2 | HERBICIDE COMBINATION | BAYER CROPSCIENCE AG (DE) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008074403-A2 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2008-06-26 | — | — | WO | disclosed |