⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26492812 | 0.77 | — | — | |
| SCHEMBL90602 | 0.75 | — | — | |
| SCHEMBL19170268 | 0.74 | — | — | |
| SCHEMBL3213660 | 0.72 | — | — | |
| SCHEMBL9587611 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL10810982 | 0.70 | — | — | |
| SCHEMBL22577719 | 0.69 | — | — | |
| SCHEMBL9588359 | 0.68 | — | — | |
| SCHEMBL9589969 | 0.68 | — | — | |
| SCHEMBL11199350 | 0.68 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210040043-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY (BE) | 2021-02-11 | — | — | US | disclosed |
| US-10829456-B2 | Halogen substituted diketones, pyrazole compounds and processes for the manufacture of pyrazole compounds | SOLVAY SA (BE) | 2020-11-10 | — | — | US | disclosed |
| US-20190031616-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY SA (BE) | 2019-01-31 | — | — | US | disclosed |
| EP-3408259-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | Solvay SA (BE) | 2018-12-05 | — | — | EP | disclosed |
| WO-2017129759-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY SA (BE) | 2017-08-03 | — | — | WO | disclosed |
| US-8063205-B2 | Method for producing 2-oxazoline analogue or 1,3-oxazine analogue | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2011-11-22 | — | — | US | disclosed |
| US-20090281309-A1 | METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2009-11-12 | — | — | US | disclosed |
| EP-1956012-A1 | METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE | National University Corporation Hokkaido University (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7307185-B2 | Process for producing optically active fluorochemical | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-12-11 | — | — | US | disclosed |
| US-20070191631-A1 | Process for producing optically active fluorochemical | MITSUBISHI GAS CHEMICAL COMPANY (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1721885-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE FLUOROCHEMICAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2006-11-15 | — | — | EP | disclosed |