⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6784567 | 0.92 | — | — | |
| SCHEMBL6779610 | 0.91 | KMT2A (0.35) | — | |
| SCHEMBL6784211 | 0.90 | MAPT (0.34) | — | |
| SCHEMBL6779341 | 0.89 | KDM4E (0.32) | — | |
| Formic Acid SCHEMBL6779916 | 0.85 | KLK1 (0.32) | — | |
| SCHEMBL6778741 | 0.85 | — | — | |
| SCHEMBL6780304 | 0.85 | KMT2A (0.33) | — | |
| SCHEMBL14341805 | 0.85 | F2 (0.33) | — | |
| SCHEMBL6780092 | 0.85 | — | — | |
| SCHEMBL6783272 | 0.80 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6730697-B2 | FOR USE AS ANTIARRYTHMIC MEDICAMENTS WITH A CARDIOPROTECTIVE COMPONENT FOR PROPHYLAXIS OF AN INFARCTION AND THERAPY OF INFARCTION, AND FOR TREATMENT OF ANGINA PECTORIS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-05-04 | — | — | US | disclosed |
| US-20030181511-A1 | Dihydrothiaphenanthrenecarbonylguanidines: composition, process of making, and use as medicament or diagnostic aid | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2003-09-25 | — | — | US | disclosed |