⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21814198 | 0.83 | — | — | |
| SCHEMBL2044061 | 0.83 | — | — | |
| SCHEMBL1849492 | 0.83 | — | — | |
| SCHEMBL12546008 | 0.75 | — | — | |
| SCHEMBL2043634 | 0.72 | — | — | |
| SCHEMBL2038908 | 0.72 | — | — | |
| SCHEMBL2650196 | 0.69 | — | — | |
| SCHEMBL6751154 | 0.69 | CHRNB2 (0.35) | — | |
| SCHEMBL2044768 | 0.69 | — | — | |
| SCHEMBL2043299 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113677346-A | Inhibitors of cyclin dependent kinase 7(CDK7) | 希洛斯医药品股份有限公司 | 2021-11-19 | — | — | CN | disclosed |
| EP-3873477-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Syros Pharmaceuticals, Inc. (US) | 2021-09-08 | — | — | EP | 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 |