⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20556253 | 0.64 | — | — | |
| SCHEMBL28302713 | 0.62 | — | — | |
| SCHEMBL21975055 | 0.61 | — | — | |
| SCHEMBL26521836 | 0.58 | — | — | |
| SCHEMBL2037694 | 0.56 | — | — | |
| SCHEMBL2048388 | 0.56 | — | — | |
| SCHEMBL2038919 | 0.56 | — | — | |
| SCHEMBL25626251 | 0.55 | — | — | |
| SCHEMBL6907156 | 0.54 | — | — | |
| SCHEMBL13720663 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5091408-A | FUNGICIDAL 3-CYANO-4-PHENYL-PYRROLES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | claimed |
| US-4952601-A | Fungicidal 3-cyano-4-phenyl-pyrrole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | claimed |
| JP-3031277-A | — | — | None | — | — | JP | disclosed |
| JP-H0331277-A | MICROBIAL INSECTICIDE COMPOSITION | CIBA GEIGY AG | 1991-02-12 | — | — | JP | disclosed |