⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27536391 | 0.82 | — | — | |
| SCHEMBL3939631 | 0.80 | — | — | |
| SCHEMBL10423031 | 0.74 | FOLH1 (0.42) | — | |
| SCHEMBL27663577 | 0.73 | — | — | |
| SCHEMBL7999530 | 0.73 | — | — | |
| SCHEMBL15304875 | 0.69 | — | — | |
| SCHEMBL7678867 | 0.67 | NOS3 (0.43) | — | |
| SCHEMBL11385851 | 0.65 | — | — | |
| SCHEMBL5262437 | 0.64 | CYP1A2 (0.36) | — | |
| SCHEMBL8059839 | 0.63 | NOS1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539192-B1 | HIV Protease inhibitors | MERCK & CO INC (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5650412-A | VIRICIDES, IMMUNOMODULATORS, ANTIBIOTICS OR VACCINES | MERCK & CO., INC. (US) | 1997-07-22 | — | — | US | disclosed |
| US-5502060-A | TREATMENT OF AIDS USING ENZUME INHIBITORS | MERCK & CO., INC. (US) | 1996-03-26 | — | — | US | disclosed |
| WO-1993008184-A1 | HIV PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 1993-04-29 | — | — | WO | disclosed |
| EP-0539192-A1 | HIV Protease inhibitors | MERCK & CO. INC. (US) | 1993-04-28 | — | — | EP | disclosed |