⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1857358 | 1.00 | — | — | |
| SCHEMBL12093027 | 1.00 | — | — | |
| SCHEMBL7360607 | 1.00 | — | — | |
| SCHEMBL12093031 | 1.00 | — | — | |
| SCHEMBL4545224 | 1.00 | — | — | |
| SCHEMBL16292410 | 0.86 | CYP2C9 (0.39) | — | |
| SCHEMBL26984821 | 0.84 | — | — | |
| Methane SCHEMBL16794517 | 0.83 | CYP2C9 (0.38) | — | |
| SCHEMBL23926890 | 0.78 | — | — | |
| SCHEMBL136714 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9150568-B2 | Compositions and methods for modulating FXR | NOVARTIS AG (CH) | 2015-10-06 | — | — | US | disclosed |