⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12673119 | 0.79 | CYP3A4 (0.31) | — | |
| SCHEMBL12903184 | 0.70 | PDE2A (0.31) | — | |
| SCHEMBL12901959 | 0.69 | — | — | |
| SCHEMBL15344711 | 0.68 | — | — | |
| SCHEMBL17470176 | 0.66 | CYP3A4 (0.35) | — | |
| SCHEMBL15095794 | 0.66 | CYP3A4 (0.35) | — | |
| SCHEMBL16351125 | 0.66 | DRD1 (0.31) | — | |
| SCHEMBL15344715 | 0.65 | — | — | |
| SCHEMBL15344692 | 0.65 | SLC6A2 (0.30) | — | |
| SCHEMBL19286230 | 0.65 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090275761-A1 | Catalytic Preparation of Cyclic Carboxylic Esters | SOLVIAS AG (CH) | 2009-11-05 | — | — | US | disclosed |