⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7679512 | 0.65 | — | — | |
| SCHEMBL403219 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL7637933 | 0.55 | — | — | |
| SCHEMBL4428965 | 0.55 | — | — | |
| SCHEMBL5924202 | 0.54 | — | — | |
| SCHEMBL6124305 | 0.54 | — | — | |
| SCHEMBL417429 | 0.54 | — | — | |
| SCHEMBL183127 | 0.54 | — | — | |
| SCHEMBL16563230 | 0.53 | — | — | |
| SCHEMBL4165113 | 0.53 | — | — |
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-6388101-B1 | METHACRYLIC ACID ESTER OF 3-HYDROXY-3-METHYL-1-OXACYCLOPENTAN-2-ONE | TOKYO OHKA KOGYO CO., LTD. (JP) | 2002-05-14 | — | — | US | disclosed |