⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9903035 | 0.79 | — | — | |
| SCHEMBL9902945 | 0.56 | — | — | |
| SCHEMBL9902191 | 0.56 | — | — | |
| SCHEMBL21198885 | 0.54 | — | — | |
| SCHEMBL9901990 | 0.53 | — | — | |
| 2-Fluoroethanaminium SCHEMBL12377090 | 0.42 | — | — | |
| 2-Fluoroethanaminium SCHEMBL26542 | 0.42 | — | — | |
| SCHEMBL9902106 | 0.42 | — | — | |
| SCHEMBL26810 | 0.40 | — | — | |
| 2-Fluoroethanaminium SCHEMBL51645 | 0.40 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2648518-A2 | PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2013-10-16 | — | — | EP | disclosed |
| US-20130253012-A1 | Pyrazole Compounds for Controlling Invertebrate Pests | BASF SE (DE) | 2013-09-26 | — | — | US | disclosed |
| WO-2012076704-A2 | PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2012-06-14 | — | — | WO | disclosed |