⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1162529 | 0.69 | — | — | |
| SCHEMBL9687826 | 0.69 | ORAI1 (0.32) | — | |
| SCHEMBL2127063 | 0.67 | NOS3 (0.57) | — | |
| SCHEMBL1272662 | 0.67 | — | — | |
| SCHEMBL19692810 | 0.67 | — | — | |
| SCHEMBL34907 | 0.63 | — | — | |
| SCHEMBL5752832 | 0.61 | — | — | |
| SCHEMBL7474093 | 0.61 | — | — | |
| SCHEMBL5652131 | 0.58 | LMNA (0.44) | — | |
| SCHEMBL5652133 | 0.58 | LMNA (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0740649-A1 | NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE | Byk Nederland BV (NL) | 1996-11-06 | — | — | EP | disclosed |
| WO-1995019952-A1 | NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1995-07-27 | — | — | WO | disclosed |
| US-5135932-A | 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE | DR. KARL THOMAE GMBH (DE) | 1992-08-04 | — | — | US | disclosed |