⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7044598 | 0.76 | — | — | |
| SCHEMBL10875931 | 0.75 | — | — | |
| SCHEMBL2050205 | 0.75 | — | — | |
| SCHEMBL27822004 | 0.75 | — | — | |
| SCHEMBL18449658 | 0.71 | CYP2C19 (0.31) | — | |
| SCHEMBL18449659 | 0.70 | CYP2C19 (0.33) | — | |
| SCHEMBL20159047 | 0.67 | CHRM2 (0.33) | — | |
| SCHEMBL20141506 | 0.67 | CHRM2 (0.33) | — | |
| SCHEMBL23072739 | 0.67 | — | — | |
| SCHEMBL28485473 | 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 8 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-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 |
| EP-0534511-A1 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |
| EP-0002590-B1 | NOVEL PROSTAGLANDIN COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AMERICAN CYANAMID COMPANY (US) | 1981-09-30 | — | — | EP | disclosed |
| US-4254285-A | 1-Hydroxymethyl-1-1-oxo prostane derivatives of the E and F series | AMERICAN CYANAMID COMPANY (US) | 1981-03-03 | — | — | US | disclosed |
| EP-0002590-A1 | Novel prostaglandin compounds, processes for the preparation thereof and pharmaceutical compositions containing them | AMERICAN CYANAMID COMPANY (US) | 1979-06-27 | — | — | EP | disclosed |