⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24656013 | 0.84 | — | — | |
| SCHEMBL21848989 | 0.78 | MGLL (0.30) | — | |
| SCHEMBL24656006 | 0.75 | PIM1 (0.31) | — | |
| SCHEMBL24657821 | 0.72 | — | — | |
| SCHEMBL26817226 | 0.72 | — | — | |
| SCHEMBL24656007 | 0.72 | — | — | |
| SCHEMBL26817228 | 0.72 | — | — | |
| SCHEMBL25528080 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL26817224 | 0.69 | — | — | |
| SCHEMBL21893556 | 0.69 | KEAP1 (0.41) | — |
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-20230145249-A1 | Monoacylglycerol Lipase Modulators | JANSSEN PHARMACEUTICA NV (BE) | 2023-05-11 | — | — | US | disclosed |
| US-20230145249-A1 | Monoacylglycerol Lipase Modulators | JANSSEN PHARMACEUTICA NV (BE) | 2023-05-11 | — | — | US | disclosed |
| US-20220332713-A1 | Monoacylglycerol Lipase Modulators | JANSSEN PHARMACEUTICA NV (BE) | 2022-10-20 | — | — | US | disclosed |