⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2378082 | 0.92 | ADH1B (0.34) | — | |
| SCHEMBL1272563 | 0.88 | — | — | |
| SCHEMBL2377591 | 0.77 | GABRA5 (0.39) | — | |
| SCHEMBL1272503 | 0.77 | KCNH2 (0.31) | — | |
| SCHEMBL16321334 | 0.74 | — | — | |
| SCHEMBL3046027 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL4939644 | 0.72 | — | — | |
| SCHEMBL636443 | 0.72 | — | — | |
| SCHEMBL1515152 | 0.72 | — | — | |
| SCHEMBL746912 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10723711-B2 | 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors | PFIZER INC. (US) | 2020-07-28 | — | — | US | disclosed |
| EP-1866277-B1 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2014-06-25 | — | — | EP | disclosed |
| US-20080287446-A1 | Sulfonyl Containing Compounds as Cysteine Protease Inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2008-11-20 | — | — | US | disclosed |