⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16259139 | 0.81 | CES2 (0.33) | — | |
| SCHEMBL4566089 | 0.78 | — | — | |
| SCHEMBL6544936 | 0.78 | — | — | |
| SCHEMBL2220163 | 0.73 | EPHX2 (0.31) | — | |
| SCHEMBL6384635 | 0.73 | EPHX2 (0.36) | — | |
| SCHEMBL15177067 | 0.73 | — | — | |
| SCHEMBL6544924 | 0.73 | PDPK1 (0.31) | — | |
| SCHEMBL13559593 | 0.70 | — | — | |
| SCHEMBL21456613 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL18951911 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3002283-A1 | THIAZOLE DERIVATIVES | Kyowa Hakko Kirin Co., Ltd. (JP) | 2016-04-06 | — | — | EP | disclosed |
| EP-2340830-A2 | Hepatitis C Virus Inhibitors | Bristol-Myers Squibb Company (US) | 2011-07-06 | — | — | EP | disclosed |
| US-7879849-B2 | such as 1-(2-Methylpropyl)-2-propyl-2H-pyrazolo[3,4-c]quinolin-4-amine, used as immunomodulators, for inducing or inhibiting cytokine biosynthesis in animals and in the treatment of viral and neoplastic diseases | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-02-01 | — | — | US | disclosed |
| US-20090318435-A1 | PYRAZOLOPYRIDINES AND ANALOGS THEREOF | 3M INNOVATIVE PROPERTIES COMPANY | 2009-12-24 | — | — | US | disclosed |
| EP-2033654-A1 | Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus | Bristol-Myers Squibb Company (US) | 2009-03-11 | — | — | EP | disclosed |