⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL535285 | 0.67 | — | — | |
| SCHEMBL965840 | 0.61 | — | — | |
| SCHEMBL18312308 | 0.61 | — | — | |
| SCHEMBL13336500 | 0.61 | — | — | |
| SCHEMBL9886472 | 0.61 | — | — | |
| 2,2,2-Trifluoroethanaminium SCHEMBL6992 | 0.56 | — | — | |
| 2,2,2-Trifluoroethanaminium SCHEMBL138414 | 0.53 | — | — | |
| SCHEMBL6054656 | 0.53 | — | — | |
| 2,2,2-Trifluoroethanaminium SCHEMBL19133548 | 0.53 | — | — | |
| 2,2,2-Trifluoroethanaminium SCHEMBL19133547 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8349870-B2 | Fungicidal hetercyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| US-20100292275-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-11-18 | — | — | US | disclosed |