⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9728926 | 1.00 | — | — | |
| SCHEMBL9728906 | 1.00 | — | — | |
| SCHEMBL9729096 | 1.00 | — | — | |
| SCHEMBL9729684 | 0.84 | — | — | |
| SCHEMBL9729033 | 0.82 | MAPK14 (0.58) | — | |
| SCHEMBL9729158 | 0.82 | MAPK14 (0.58) | — | |
| SCHEMBL9729284 | 0.82 | MAPK14 (0.58) | — | |
| SCHEMBL9729112 | 0.82 | MAPK14 (0.58) | — | |
| SCHEMBL9729334 | 0.82 | MAPK14 (0.58) | — | |
| SCHEMBL9470525 | 0.81 | — | — |
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-5162360-A | Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase | WARNER-LAMBERT COMPANY (US) | 1992-11-10 | — | — | US | disclosed |