⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28921670 | 1.00 | — | — | |
| SCHEMBL5196169 | 0.75 | HPGD (0.32) | — | |
| SCHEMBL6096655 | 0.75 | HRH3 (0.32) | — | |
| SCHEMBL27141247 | 0.71 | LMNA (0.30) | — | |
| SCHEMBL1326224 | 0.71 | DPP4 (0.31) | — | |
| SCHEMBL16909527 | 0.69 | ITGB3 (0.30) | — | |
| SCHEMBL15551712 | 0.67 | HRH3 (0.44) | — | |
| SCHEMBL2160442 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL15204182 | 0.66 | — | — | |
| SCHEMBL20211157 | 0.65 | PHGDH (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555596-A | Radiolabeled MGL PET ligands | 詹森药业有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-113164459-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2021-07-23 | — | — | CN | disclosed |