⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1832390 | 0.62 | — | — | |
| SCHEMBL5426881 | 0.56 | — | — | |
| Trimethylammonium SCHEMBL2075720 | 0.56 | — | — | |
| SCHEMBL770520 | 0.56 | — | — | |
| SCHEMBL64854 | 0.56 | — | — | |
| SCHEMBL2919 | 0.56 | — | — | |
| SCHEMBL23451619 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL9768925 | 0.53 | — | — | |
| SCHEMBL9596235 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL8450669 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004005460-A2 | ANTISENSE MODULATION OF HMG-COA REDUCTASE EXPRESSION | ISIS PHARMACEUTICALS INC. (US) | 2004-01-15 | — | — | WO | disclosed |