⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3554534 | 0.85 | — | — | |
| SCHEMBL4031020 | 0.83 | TAS2R14 (0.36) | — | |
| SCHEMBL4030375 | 0.76 | GLA (0.30) | — | |
| SCHEMBL20876147 | 0.71 | HSD11B1 (0.31) | — | |
| SCHEMBL4029538 | 0.67 | — | — | |
| SCHEMBL4027581 | 0.67 | — | — | |
| SCHEMBL4026102 | 0.67 | — | — | |
| SCHEMBL20885320 | 0.62 | BRD4 (0.41) | — | |
| SCHEMBL69773 | 0.61 | NOTUM (0.44) | — | |
| SCHEMBL4024559 | 0.60 | — | — |
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 |