⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9902106 | 0.65 | — | — | |
| SCHEMBL9902635 | 0.58 | — | — | |
| SCHEMBL9903172 | 0.58 | — | — | |
| SCHEMBL25235628 | 0.52 | KDM1A (0.34) | — | |
| Hydrochloric Acid SCHEMBL25234812 | 0.50 | KDM1A (0.33) | — | |
| SCHEMBL68151 | 0.48 | — | — | |
| SCHEMBL1053549 | 0.44 | — | — | |
| SCHEMBL25287 | 0.43 | — | — | |
| Norflurane SCHEMBL11036325 | 0.43 | — | — | |
| Norflurane SCHEMBL1173735 | 0.43 | — | — |
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 |