⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2270251 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL94097 | 0.67 | MEN1 (0.41) | — | |
| SCHEMBL2299303 | 0.62 | MAOA (0.43) | — | |
| SCHEMBL2268131 | 0.61 | MAOA (0.43) | — | |
| SCHEMBL27632036 | 0.59 | PPOX (0.56) | — | |
| SCHEMBL2970333 | 0.59 | NPC1 (0.50) | — | |
| SCHEMBL360245 | 0.59 | MEN1 (0.57) | — | |
| SCHEMBL1665290 | 0.58 | MAOA (0.43) | — | |
| SCHEMBL8134807 | 0.57 | GSTP1 (0.43) | — | |
| SCHEMBL26128819 | 0.57 | MEN1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |