⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28234667 | 0.95 | — | — | |
| Acetone SCHEMBL3409287 | 0.91 | LMNA (0.58) | — | |
| Acetic Acid SCHEMBL27639868 | 0.91 | FFAR3 (0.64) | — | |
| Acetamide SCHEMBL21296186 | 0.89 | — | — | |
| Acetone SCHEMBL28084941 | 0.89 | LMNA (0.89) | — | |
| Acetone SCHEMBL1896352 | 0.89 | — | — | |
| Acetone SCHEMBL27838842 | 0.87 | LMNA (0.54) | — | |
| Acetic Acid SCHEMBL875913 | 0.84 | — | — | |
| Butanedione SCHEMBL1696461 | 0.84 | TSHR (0.70) | — | |
| Acetic Acid SCHEMBL30298819 | 0.84 | FFAR3 (0.70) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |