⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21357538 | 0.65 | — | — | |
| SCHEMBL10793901 | 0.65 | — | — | |
| SCHEMBL4689337 | 0.64 | — | — | |
| SCHEMBL2042073 | 0.64 | — | — | |
| SCHEMBL3414747 | 0.64 | — | — | |
| SCHEMBL28562644 | 0.64 | — | — | |
| SCHEMBL12361216 | 0.63 | MEN1 (0.33) | — | |
| SCHEMBL2045125 | 0.61 | — | — | |
| SCHEMBL2043046 | 0.61 | — | — | |
| SCHEMBL6999 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473498-A | Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents | 豪夫迈·罗氏有限公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-105283443-A | Heterocyclic derivatives and use thereof | C & C RES LAB | 2016-01-27 | — | — | CN | disclosed |
| EP-0923569-B1 | BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS | WARNER LAMBERT CO (US) | 2004-11-17 | — | — | EP | disclosed |
| US-6020366-A | Butyric acid matrix metalloproteinase inhibitors | WARNER-LAMBERT COMPANY (US) | 2000-02-01 | — | — | US | disclosed |
| EP-0923569-A1 | BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998006711-A1 | BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |