⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30503598 | 0.83 | MGLL (0.32) | — | |
| SCHEMBL26630950 | 0.79 | MGLL (0.34) | — | |
| SCHEMBL26739179 | 0.79 | MGLL (0.34) | — | |
| SCHEMBL31171110 | 0.78 | PDCD1LG2 (0.37) | — | |
| SCHEMBL26748404 | 0.78 | EPHX2 (0.33) | — | |
| SCHEMBL31308044 | 0.77 | MGLL (0.32) | — | |
| SCHEMBL31308004 | 0.76 | KDM1A (0.39) | — | |
| SCHEMBL31171153 | 0.74 | RORC (0.36) | — | |
| SCHEMBL31308031 | 0.72 | FFAR4 (0.40) | — | |
| SCHEMBL31308072 | 0.72 | MGLL (0.34) | — |
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-116323557-A | Cyclobutylamide monoacylglycerol lipase modulators | 詹森药业有限公司 | 2023-06-23 | — | — | CN | disclosed |