⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5352667 | 1.00 | — | — | |
| SCHEMBL218875 | 0.82 | GRM2 (0.31) | — | |
| SCHEMBL5064896 | 0.82 | GRM2 (0.31) | — | |
| SCHEMBL471784 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL471787 | 0.80 | — | — | |
| SCHEMBL7130935 | 0.79 | — | — | |
| SCHEMBL9507277 | 0.77 | — | — | |
| Formic Acid SCHEMBL8030842 | 0.77 | GRM2 (0.32) | — | |
| SCHEMBL5961836 | 0.76 | — | — | |
| SCHEMBL31178055 | 0.76 | NPSR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912170-A4 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO INC (US) | 2003-04-09 | — | — | EP | disclosed |
| EP-0912170-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | Merck & Co., Inc. (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997040825-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1997-11-06 | — | — | WO | disclosed |