⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1109035 | 0.76 | — | — | |
| SCHEMBL4479094 | 0.70 | — | — | |
| SCHEMBL4481026 | 0.70 | — | — | |
| SCHEMBL11361086 | 0.70 | — | — | |
| SCHEMBL6712382 | 0.67 | — | — | |
| SCHEMBL23723958 | 0.64 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL2261106 | 0.63 | NOS3 (0.41) | — | |
| SCHEMBL12881245 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL14887250 | 0.61 | — | — | |
| SCHEMBL18331570 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2254907-A1 | LXR LIGAND BINDING DOMAIN (LXR LBD) CRYSTALS | F. Hoffmann-La Roche AG (CH) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009115212-A1 | LXR LIGAND BINDING DOMAIN (LXR LBD) CRYSTALS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | WO | disclosed |