⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9421101 | 0.90 | — | — | |
| SCHEMBL9421106 | 0.90 | — | — | |
| SCHEMBL1235245 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL9421048 | 0.73 | HMGCR (0.33) | — | |
| SCHEMBL9421094 | 0.73 | — | — | |
| SCHEMBL20773893 | 0.72 | LMNA (0.45) | — | |
| SCHEMBL6904056 | 0.70 | HTR2B (0.46) | — | |
| Hydrochloric Acid SCHEMBL5902888 | 0.69 | SLC6A2 (0.47) | — | |
| SCHEMBL9383946 | 0.67 | CA1 (0.35) | — | |
| SCHEMBL21217189 | 0.63 | TRPA1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5332857-A | 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents | PFIZER INC. (US) | 1994-07-26 | — | — | US | disclosed |
| EP-0312269-B1 | 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS | PFIZER INC. (US) | 1993-06-16 | — | — | EP | disclosed |
| US-5151545-A | 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS | PFIZER INC. (US) | 1992-09-29 | — | — | US | disclosed |
| EP-0312269-A2 | 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents | PFIZER INC. (US) | 1989-04-19 | — | — | EP | disclosed |