⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7922417 | 0.50 | — | — | |
| SCHEMBL24676486 | 0.49 | — | — | |
| SCHEMBL1993425 | 0.41 | MAPK1 (0.43) | — | |
| SCHEMBL57168 | 0.41 | ALDH1A1 (0.47) | — | |
| Nitrogen SCHEMBL27627551 | 0.40 | — | — | |
| Nitrogen SCHEMBL31188032 | 0.40 | — | — | |
| Nitrogen SCHEMBL8587718 | 0.40 | — | — | |
| SCHEMBL7448 | 0.38 | — | — | |
| Nitrogen SCHEMBL28454410 | 0.34 | — | — | |
| Nitrogen SCHEMBL11433330 | 0.34 | — | — |
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 |