⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28316081 | 0.95 | — | — | |
| SCHEMBL9834069 | 0.77 | — | — | |
| SCHEMBL873165 | 0.76 | — | — | |
| SCHEMBL873188 | 0.73 | — | — | |
| SCHEMBL1647675 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL27419867 | 0.70 | — | — | |
| SCHEMBL27624797 | 0.69 | — | — | |
| SCHEMBL5014124 | 0.69 | — | — | |
| SCHEMBL1680597 | 0.69 | — | — | |
| SCHEMBL11153371 | 0.69 | — | — |
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-110072863-A | RIP1 kinase inhibitors and methods of use | 豪夫迈·罗氏有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-110023313-A | Bicyclic amide compound and its application method | 豪夫迈·罗氏有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-109843886-A | Two ring pyridone lactams and its application method | 豪夫迈·罗氏有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-1934094-A | Diaryl substituted heterocyclic 5-membered ring derivatives | BANYU PHARMA CO LTD (JP) | 2007-03-21 | — | — | CN | disclosed |