⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103842 | 0.97 | — | — | |
| SCHEMBL29482332 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29506105 | 0.95 | NOS3 (0.50) | — | |
| SCHEMBL29400826 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28548974 | 0.80 | NPC1 (0.39) | — | |
| SCHEMBL13963599 | 0.78 | DPP4 (0.51) | — | |
| SCHEMBL23797894 | 0.76 | MMP14 (0.36) | — | |
| SCHEMBL23797904 | 0.75 | NOS3 (0.34) | — | |
| Potassium SCHEMBL30693765 | 0.74 | — | — | |
| SCHEMBL14471748 | 0.73 | PKM (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115353509-A | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-111295374-B | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-115052866-A | Crystal form of free base of nitrogen-containing heteroaromatic derivative | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |