⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4030227 | 0.82 | PPARG (0.34) | — | |
| SCHEMBL4026102 | 0.76 | — | — | |
| SCHEMBL4030620 | 0.71 | NOTUM (0.32) | — | |
| SCHEMBL4027580 | 0.69 | — | — | |
| SCHEMBL3554532 | 0.69 | HTT (0.33) | — | |
| SCHEMBL4030375 | 0.67 | GLA (0.30) | — | |
| SCHEMBL6986529 | 0.66 | — | — | |
| SCHEMBL69773 | 0.62 | NOTUM (0.44) | — | |
| SCHEMBL5960570 | 0.61 | GABRA1 (0.33) | — | |
| SCHEMBL5205237 | 0.60 | KDM4E (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1252140-B1 | PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-05-13 | — | — | EP | claimed |