⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL386799 | 0.69 | — | — | |
| SCHEMBL28517661 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL387436 | 0.67 | — | — | |
| SCHEMBL6218251 | 0.65 | — | — | |
| SCHEMBL1678856 | 0.65 | — | — | |
| SCHEMBL17296502 | 0.65 | — | — | |
| SCHEMBL366438 | 0.63 | — | — | |
| SCHEMBL2528044 | 0.63 | — | — | |
| SCHEMBL1505771 | 0.62 | — | — | |
| SCHEMBL38140 | 0.62 | — | — |
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-1195737-C | HIV proteinase inhibitor | AGOURON PHARMA (US) | 2005-04-06 | — | — | CN | disclosed |
| CN-1262272-A | HIV proteinase inhibitor | AGOURON PHARMA (US) | 2000-08-09 | — | — | CN | disclosed |
| CN-1046269-C | HIV protease inhibitors | AGOURON PHARMA (US) | 1999-11-10 | — | — | CN | disclosed |
| CN-1131942-A | HIV protease inhibitors | AGOURON PHARMACEUTICALS INS (US) | 1996-09-25 | — | — | CN | disclosed |