⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4558711 | 0.93 | ALDH1A1 (0.45) | — | |
| SCHEMBL1709355 | 0.81 | — | — | |
| SCHEMBL28196279 | 0.81 | ALDH1A1 (0.49) | — | |
| SCHEMBL1709350 | 0.81 | — | — | |
| SCHEMBL154109 | 0.81 | — | — | |
| SCHEMBL6444302 | 0.80 | ALDH1A1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL28466963 | 0.79 | ALDH1A1 (0.47) | — | |
| Bromide SCHEMBL28466662 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL12064295 | 0.79 | ALDH1A1 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28353022 | 0.79 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1664023-A1 | SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1562933-A2 | SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS | Amgen Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2005021533-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2005-03-10 | — | — | WO | disclosed |
| WO-2004007481-A2 | SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS | AMGEN INC. (US) | 2004-01-22 | — | — | WO | disclosed |