⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8431323 | 0.76 | HPGD (0.33) | — | |
| SCHEMBL8433485 | 0.74 | HPGD (0.36) | — | |
| SCHEMBL16349436 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL18166970 | 0.71 | CHRM2 (0.38) | — | |
| SCHEMBL28798980 | 0.69 | HPGD (0.30) | — | |
| Hydrochloric Acid SCHEMBL7098403 | 0.69 | HPGD (0.37) | — | |
| SCHEMBL28873270 | 0.69 | MMP2 (0.31) | — | |
| SCHEMBL28827128 | 0.69 | POLB (0.57) | — | |
| SCHEMBL28823557 | 0.67 | — | — | |
| SCHEMBL28869566 | 0.67 | PLA2G10 (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-103992329-B | Protease inhibitor | 美迪维尔公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103992329-A | Protease inhibitors | MEDIVIR AB | 2014-08-20 | — | — | CN | disclosed |
| CN-102224156-B | Protease inhibitors | MEDIVIR AB | 2014-06-25 | — | — | CN | disclosed |
| CN-102224156-A | Protease inhibitors | MEDIVIR AB | 2011-10-19 | — | — | CN | disclosed |