⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6117405 | 0.87 | — | — | |
| SCHEMBL3277872 | 0.87 | — | — | |
| SCHEMBL3052772 | 0.87 | — | — | |
| SCHEMBL27853934 | 0.87 | — | — | |
| SCHEMBL375078 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL12463720 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL2975294 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL3690265 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL3799193 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL374714 | 0.75 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105861585-A | Method for splitting hepatitis c NS3 enzyme inhibitor drug intermediate through sphingomonasaquatilis | 北京化工大学 | 2016-08-17 | — | — | CN | claimed |
| CN-105861585-B | A method of hepatitis C NS3 enzyme inhibitor medicine intermediate is split using Sphingomonas | 北京化工大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-105861585-B | A method of hepatitis C NS3 enzyme inhibitor medicine intermediate is split using Sphingomonas | 北京化工大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-105861585-A | Method for splitting hepatitis c NS3 enzyme inhibitor drug intermediate through sphingomonasaquatilis | 北京化工大学 | 2016-08-17 | — | — | CN | disclosed |