⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL424166 | 0.82 | — | — | |
| SCHEMBL13563188 | 0.82 | — | — | |
| SCHEMBL9912214 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4925856 | 0.78 | — | — | |
| SCHEMBL22991966 | 0.78 | — | — | |
| SCHEMBL2128157 | 0.78 | — | — | |
| SCHEMBL9295459 | 0.78 | — | — | |
| SCHEMBL20776293 | 0.78 | — | — | |
| SCHEMBL16522566 | 0.78 | — | — | |
| SCHEMBL19656178 | 0.78 | EPHX2 (0.31) | — |
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-115244037-B | Substituted triazinones as thyroid hormone receptor agonists | 诚益生物(美国)公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-115785084-B | Pyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-116867758-A | IRAK degradation agents and uses thereof | 凯麦拉医疗公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-116669722-A | Interleukin-1 receptor-related kinase (IRAK) degradants and uses thereof | 凯麦拉医疗公司 | 2023-08-29 | — | — | CN | disclosed |