⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9957241 | 0.99 | — | — | |
| SCHEMBL9958330 | 0.85 | RET (0.30) | — | |
| SCHEMBL21195665 | 0.79 | NR1H4 (0.32) | — | |
| SCHEMBL9959568 | 0.77 | NR1H4 (0.38) | — | |
| SCHEMBL9957585 | 0.76 | PTGDR2 (0.33) | — | |
| SCHEMBL9956807 | 0.73 | NR1H4 (0.31) | — | |
| SCHEMBL9956818 | 0.73 | NR1H4 (0.41) | — | |
| SCHEMBL20853741 | 0.73 | NR1H4 (0.41) | — | |
| SCHEMBL9957102 | 0.71 | NR1H4 (0.32) | — | |
| SCHEMBL17839466 | 0.71 | NR1H4 (0.32) | — |
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 |