⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4976486 | 0.79 | — | — | |
| SCHEMBL17730803 | 0.79 | — | — | |
| SCHEMBL20168227 | 0.75 | — | — | |
| SCHEMBL15067708 | 0.74 | — | — | |
| SCHEMBL8462147 | 0.72 | — | — | |
| SCHEMBL31361523 | 0.71 | — | — | |
| SCHEMBL29148378 | 0.71 | — | — | |
| SCHEMBL4384807 | 0.69 | — | — | |
| SCHEMBL231052 | 0.69 | — | — | |
| SCHEMBL28032857 | 0.69 | — | — |
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-2655370-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087519-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2012-06-28 | — | — | WO | disclosed |