⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7364806 | 1.00 | — | — | |
| SCHEMBL7463730 | 0.79 | ACE (0.30) | — | |
| SCHEMBL10852099 | 0.68 | — | — | |
| SCHEMBL441187 | 0.67 | — | — | |
| SCHEMBL15304875 | 0.67 | — | — | |
| SCHEMBL12545745 | 0.64 | MAPT (0.31) | — | |
| SCHEMBL10453626 | 0.64 | NPC1 (0.30) | — | |
| SCHEMBL619052 | 0.64 | — | — | |
| SCHEMBL10454008 | 0.64 | NOS3 (0.33) | — | |
| SCHEMBL10413927 | 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 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 |