⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5959365 | 0.80 | CHRNB2 (0.30) | — | |
| SCHEMBL19336505 | 0.76 | CCR2 (0.31) | — | |
| SCHEMBL24593370 | 0.76 | — | — | |
| SCHEMBL21430786 | 0.76 | — | — | |
| SCHEMBL10184485 | 0.73 | — | — | |
| SCHEMBL8203034 | 0.72 | — | — | |
| SCHEMBL8259737 | 0.71 | — | — | |
| SCHEMBL18571292 | 0.68 | — | — | |
| SCHEMBL14730226 | 0.68 | — | — | |
| SCHEMBL18570912 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021104486-A1 | COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2021-06-03 | — | — | WO | disclosed |
| US-20170190830-A1 | FUNCTIONALIZATION OF DIELS-ALDER POLYPHENYLENE POLYMERS | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2017-07-06 | — | — | US | disclosed |