⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21382913 | 0.70 | CTNNB1 (0.43) | — | |
| SCHEMBL2768220 | 0.70 | DRD2 (0.32) | — | |
| SCHEMBL14783410 | 0.68 | CTNNB1 (0.37) | — | |
| SCHEMBL2767330 | 0.68 | GRM1 (0.31) | — | |
| SCHEMBL578630 | 0.65 | CTNNB1 (0.31) | — | |
| SCHEMBL4440654 | 0.65 | STS (0.35) | — | |
| SCHEMBL2768694 | 0.62 | — | — | |
| SCHEMBL17258220 | 0.61 | MAPT (0.30) | — | |
| SCHEMBL17258219 | 0.61 | MAPT (0.30) | — | |
| SCHEMBL846045 | 0.61 | GRM5 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013038374-A1 | PROCESS FOR MANUFACTURING A SYNTHETIC INTERMEDIATE | ACTELION PHARMACEUTICALS LTD (CH) | 2013-03-21 | — | — | WO | disclosed |