⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9902526 | 0.67 | — | — | |
| SCHEMBL791723 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL6482308 | 0.55 | — | — | |
| SCHEMBL133335 | 0.55 | ALDH1A1 (0.35) | — | |
| SCHEMBL1038150 | 0.52 | CYP19A1 (0.52) | — | |
| SCHEMBL3749196 | 0.52 | CYP11B1 (0.43) | — | |
| SCHEMBL895697 | 0.50 | CA2 (0.36) | — | |
| SCHEMBL11287557 | 0.50 | KMT2A (0.39) | — | |
| SCHEMBL9902681 | 0.50 | — | — | |
| SCHEMBL9787177 | 0.50 | CES2 (0.39) | — |
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 |