⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2908772 | 0.86 | — | — | |
| SCHEMBL958623 | 0.75 | — | — | |
| SCHEMBL19736 | 0.70 | — | — | |
| SCHEMBL7863871 | 0.70 | — | — | |
| SCHEMBL2745680 | 0.70 | — | — | |
| SCHEMBL5580130 | 0.68 | — | — | |
| SCHEMBL9846069 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL83309 | 0.67 | — | — | |
| SCHEMBL4572698 | 0.67 | — | — | |
| SCHEMBL22115 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994712-A1 | INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION | ELI LILLY AND COMPANY (US) | 2000-04-26 | — | — | EP | disclosed |
| EP-0970055-A2 | HIV PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1999002163-A1 | INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION | ELI LILLY AND COMPANY (US) | 1999-01-21 | — | — | WO | disclosed |
| WO-1998040357-A2 | HIV PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 1998-09-17 | — | — | WO | disclosed |
| WO-1997042154-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1997-11-13 | — | — | WO | disclosed |
| WO-1997041861-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1997-11-13 | — | — | WO | disclosed |
| WO-1997041860-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1997-11-13 | — | — | WO | disclosed |