⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19675346 | 0.57 | — | — | |
| SCHEMBL22073755 | 0.52 | — | — | |
| SCHEMBL13469214 | 0.50 | — | — | |
| SCHEMBL11867681 | 0.50 | — | — | |
| SCHEMBL20121369 | 0.50 | — | — | |
| SCHEMBL25475096 | 0.49 | — | — | |
| SCHEMBL24103604 | 0.49 | — | — | |
| SCHEMBL23935932 | 0.49 | — | — | |
| SCHEMBL27442559 | 0.48 | — | — | |
| SCHEMBL11924578 | 0.47 | — | — |
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-9951055-B2 | Thiazole-based inhibitors of scavenger receptor BI | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-04-24 | — | — | US | disclosed |