⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15150593 | 0.78 | — | — | |
| SCHEMBL14788809 | 0.78 | — | — | |
| SCHEMBL4103204 | 0.76 | — | — | |
| SCHEMBL7595434 | 0.74 | NOS3 (0.31) | — | |
| SCHEMBL18566770 | 0.74 | — | — | |
| SCHEMBL7590937 | 0.71 | — | — | |
| SCHEMBL11214881 | 0.70 | — | — | |
| SCHEMBL7596758 | 0.68 | — | — | |
| SCHEMBL12708750 | 0.68 | — | — | |
| SCHEMBL12937478 | 0.67 | DPP4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114206829-A | Integrated stress response pathway inhibitors | 普拉西斯生物技术有限责任公司 | 2022-03-18 | — | — | CN | disclosed |
| EP-1648922-B1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | TRANZYME PHARMA INC (CA) | 2010-12-01 | — | — | EP | disclosed |