⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1535617 | 0.74 | CYP1A2 (0.46) | — | |
| SCHEMBL1419052 | 0.69 | MAPT (0.41) | — | |
| SCHEMBL3113754 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL467966 | 0.68 | HSD17B3 (0.49) | — | |
| SCHEMBL1535628 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL1535639 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL535021 | 0.67 | HPRT1 (0.35) | — | |
| SCHEMBL2284594 | 0.67 | HPRT1 (0.35) | — | |
| SCHEMBL2407951 | 0.67 | HPRT1 (0.35) | — | |
| SCHEMBL1392342 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6794396-B2 | Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity | PHARMACIA CORPORATION | 2004-09-21 | — | — | US | disclosed |
| US-6605624-B1 | Preventing and/or treating atherosclerosis and other coronary artery diseases | PHARMACIA CORPORATION | 2003-08-12 | — | — | US | disclosed |