⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14920689 | 0.84 | P2RX3 (0.33) | — | |
| SCHEMBL14920690 | 0.83 | KMO (0.37) | — | |
| SCHEMBL14919871 | 0.81 | SCN7A (0.37) | — | |
| SCHEMBL14920631 | 0.80 | KDM4E (0.37) | — | |
| SCHEMBL14920211 | 0.80 | ALOX5AP (0.33) | — | |
| SCHEMBL14920989 | 0.79 | ALOX5AP (0.37) | — | |
| SCHEMBL14920652 | 0.79 | RAF1 (0.33) | — | |
| SCHEMBL14920106 | 0.79 | ALOX5AP (0.34) | — | |
| SCHEMBL14920130 | 0.78 | RHEB (0.44) | — | |
| SCHEMBL14921762 | 0.78 | HSPB1 (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 |
|---|---|---|---|---|---|---|---|
| US-20140288040-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2014-09-25 | — | — | US | disclosed |
| 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 |