⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31674977 | 0.76 | NPC1 (0.35) | — | |
| SCHEMBL22298100 | 0.67 | — | — | |
| SCHEMBL29324533 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28300155 | 0.63 | — | — | |
| SCHEMBL2293494 | 0.61 | — | — | |
| SCHEMBL451072 | 0.61 | — | — | |
| SCHEMBL14429822 | 0.61 | — | — | |
| SCHEMBL12454226 | 0.61 | — | — | |
| SCHEMBL30114971 | 0.61 | — | — | |
| SCHEMBL2342494 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3704114-B1 | SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2022-11-23 | — | — | EP | disclosed |