⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL692809 | 0.65 | — | — | |
| SCHEMBL28281416 | 0.60 | — | — | |
| SCHEMBL2016425 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL3401486 | 0.59 | — | — | |
| SCHEMBL4710658 | 0.55 | — | — | |
| SCHEMBL12474032 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL3401475 | 0.54 | — | — | |
| SCHEMBL12011111 | 0.53 | — | — | |
| Ethane SCHEMBL11857687 | 0.49 | — | — | |
| SCHEMBL1518002 | 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 |
|---|---|---|---|---|---|---|---|
| CN-107849017-B | 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors | 辉瑞公司 | 2021-03-30 | — | — | CN | disclosed |