⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456193 | 0.69 | — | — | |
| SCHEMBL12009180 | 0.67 | CYP11B1 (0.48) | — | |
| SCHEMBL10651306 | 0.65 | — | — | |
| SCHEMBL349238 | 0.63 | — | — | |
| SCHEMBL27969760 | 0.63 | CYP1B1 (0.34) | — | |
| SCHEMBL4455626 | 0.63 | — | — | |
| SCHEMBL456194 | 0.63 | — | — | |
| SCHEMBL1274793 | 0.63 | — | — | |
| SCHEMBL1016068 | 0.63 | — | — | |
| SCHEMBL12700475 | 0.63 | — | — |
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-2009157014-A2 | A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES | CADILA HEALTHCARE LIMITED (IN) | 2009-12-30 | — | — | WO | disclosed |