⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18087827 | 1.00 | — | — | |
| SCHEMBL18085186 | 0.82 | — | — | |
| SCHEMBL16940579 | 0.82 | — | — | |
| SCHEMBL1935595 | 0.79 | — | — | |
| SCHEMBL1935596 | 0.79 | — | — | |
| SCHEMBL15516943 | 0.79 | — | — | |
| SCHEMBL12656855 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL18085574 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL30438054 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL16940592 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998986-B2 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS PATENT COMPANY LLC (US) | 2011-08-16 | — | — | US | disclosed |
| US-7998986-B2 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS PATENT COMPANY LLC (US) | 2011-08-16 | — | — | US | disclosed |
| EP-1465869-A4 | MODULATORS OF LXR | X CEPTOR THERAPEUTICS INC (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1465869-A1 | MODULATORS OF LXR | X-Ceptor Therapeutics, Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| US-20030181420-A1 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS, INC. | 2003-09-25 | — | — | US | disclosed |
| WO-2003059884-A1 | MODULATORS OF LXR | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-07-24 | — | — | WO | disclosed |