⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14920255 | 0.76 | ALOX5AP (0.36) | — | |
| SCHEMBL18489109 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL7907354 | 0.74 | CYP1A2 (0.38) | — | |
| SCHEMBL5140146 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL1397054 | 0.73 | MEP1B (0.43) | — | |
| SCHEMBL7187320 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL18489256 | 0.69 | ALDH1A3 (0.37) | — | |
| SCHEMBL5322961 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL14920787 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL7111394 | 0.68 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2773613-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | Astex Therapeutics Limited (GB) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013064538-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2013-05-10 | — | — | WO | disclosed |