⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13720650 | 0.87 | — | — | |
| SCHEMBL2045964 | 0.71 | — | — | |
| SCHEMBL2041588 | 0.67 | — | — | |
| SCHEMBL2049686 | 0.64 | — | — | |
| SCHEMBL2038140 | 0.64 | — | — | |
| SCHEMBL20721960 | 0.62 | — | — | |
| SCHEMBL17581987 | 0.62 | — | — | |
| SCHEMBL17133937 | 0.62 | — | — | |
| SCHEMBL2040720 | 0.62 | — | — | |
| SCHEMBL15286745 | 0.61 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3191471-B1 | 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2020-03-11 | — | — | EP | disclosed |
| EP-3191471-A1 | 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-07-19 | — | — | EP | disclosed |
| US-9550754-B2 | 4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-01-24 | — | — | US | disclosed |
| WO-2016038160-A1 | 4,5-DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-03-17 | — | — | WO | disclosed |
| US-20160075691-A1 | 4,5- DIHYDROPYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-03-17 | — | — | US | disclosed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |