⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28556504 | 0.75 | — | — | |
| Water SCHEMBL28564295 | 0.75 | — | — | |
| Water SCHEMBL28343056 | 0.75 | — | — | |
| SCHEMBL11140373 | 0.75 | — | — | |
| SCHEMBL242734 | 0.75 | — | — | |
| SCHEMBL11654394 | 0.74 | CYP2D6 (0.31) | — | |
| SCHEMBL1018578 | 0.72 | — | — | |
| Cyanate SCHEMBL28268707 | 0.71 | RNPEP (0.34) | — | |
| SCHEMBL235075 | 0.70 | — | — | |
| SCHEMBL15283773 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2010056788-A1 | ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010056788-A1 | ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |