⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12179455 | 0.95 | — | — | |
| SCHEMBL3694424 | 0.69 | PNMT (0.30) | — | |
| SCHEMBL3694516 | 0.69 | PNMT (0.30) | — | |
| SCHEMBL18932500 | 0.68 | — | — | |
| SCHEMBL2505690 | 0.67 | — | — | |
| SCHEMBL8882453 | 0.64 | — | — | |
| SCHEMBL3690740 | 0.64 | OR51E2 (0.30) | — | |
| SCHEMBL2496538 | 0.63 | — | — | |
| SCHEMBL17080883 | 0.62 | — | — | |
| SCHEMBL8420653 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| EP-2431362-A1 | 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-03-21 | — | — | EP | disclosed |