⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179308 | 0.79 | CYP11B1 (0.36) | — | |
| SCHEMBL824020 | 0.77 | HSD17B10 (0.32) | — | |
| SCHEMBL21121975 | 0.77 | HDAC8 (0.33) | — | |
| SCHEMBL15871771 | 0.71 | — | — | |
| SCHEMBL9004154 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL5958520 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL20469354 | 0.68 | HDAC8 (0.31) | — | |
| SCHEMBL24132679 | 0.67 | — | — | |
| SCHEMBL21718497 | 0.67 | — | — | |
| SCHEMBL22259380 | 0.67 | IDH1 (0.34) | — |
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-8778877-B2 | HCV protease inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20090176858-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-07-09 | — | — | US | disclosed |