⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3123627 | 0.81 | IDO1 (0.61) | — | |
| SCHEMBL28136801 | 0.75 | — | — | |
| SCHEMBL2536714 | 0.75 | — | — | |
| SCHEMBL4188927 | 0.73 | ALDH1A1 (0.68) | — | |
| SCHEMBL28332617 | 0.73 | GPR35 (0.50) | — | |
| SCHEMBL2934239 | 0.72 | — | — | |
| SCHEMBL31388534 | 0.72 | — | — | |
| SCHEMBL7877542 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL839236 | 0.72 | ALDH1A1 (0.63) | — | |
| SCHEMBL7140644 | 0.72 | MAPT (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | claimed |
| EP-0607334-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. | DU PONT MERCK PHARMA (US) | 1994-07-27 | — | — | EP | claimed |
| WO-1993007128-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-15 | — | — | WO | claimed |
| EP-1153921-A2 | Cyclic ureas and analogues useful as retroviral protease inhibitors | Dupont Pharmaceuticals Company (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0765873-A1 | Cyclic ureas and analogues useful as retroviral protease inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-02 | — | — | EP | disclosed |
| EP-0607334-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. | DU PONT MERCK PHARMA (US) | 1994-07-27 | — | — | EP | disclosed |
| WO-1993007128-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-15 | — | — | WO | disclosed |