⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4427198 | 0.90 | — | — | |
| SCHEMBL2985452 | 0.87 | RIPK1 (0.30) | — | |
| SCHEMBL2985454 | 0.87 | RIPK1 (0.30) | — | |
| SCHEMBL12710246 | 0.87 | RIPK1 (0.30) | — | |
| SCHEMBL2988678 | 0.83 | NR1H2 (0.36) | — | |
| SCHEMBL2988680 | 0.83 | NR1H2 (0.36) | — | |
| SCHEMBL4430577 | 0.81 | CYP4F2 (0.36) | — | |
| SCHEMBL12710247 | 0.81 | — | — | |
| SCHEMBL2985567 | 0.81 | — | — | |
| SCHEMBL2988752 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2136628-A2 | PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES | Bayer CropScience AG (DE) | 2009-12-30 | — | — | EP | claimed |
| WO-2008110280-A2 | PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2008-09-18 | — | — | WO | claimed |