⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10272876 | 0.88 | KCNH2 (0.31) | — | |
| SCHEMBL10272865 | 0.86 | — | — | |
| SCHEMBL876737 | 0.86 | GRM5 (0.35) | — | |
| SCHEMBL876738 | 0.86 | GRM5 (0.35) | — | |
| SCHEMBL16172542 | 0.86 | KCNH2 (0.33) | — | |
| SCHEMBL10272874 | 0.84 | KCNH2 (0.34) | — | |
| SCHEMBL10272878 | 0.83 | KCNH2 (0.35) | — | |
| SCHEMBL10272877 | 0.82 | KCNH2 (0.36) | — | |
| SCHEMBL16172520 | 0.81 | KCNH2 (0.35) | — | |
| SCHEMBL882894 | 0.81 | HSP90AA1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140309244-A1 | NOVEL MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-10-16 | — | — | US | disclosed |
| US-20140309244-A1 | NOVEL MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-10-16 | — | — | US | disclosed |
| WO-2012038521-A1 | NOVEL MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-03-29 | — | — | WO | disclosed |