⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2701844 | 0.89 | — | — | |
| SCHEMBL27657813 | 0.76 | — | — | |
| SCHEMBL28299598 | 0.74 | — | — | |
| SCHEMBL9573735 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL10045688 | 0.71 | CYP19A1 (0.34) | — | |
| SCHEMBL3850142 | 0.71 | — | — | |
| SCHEMBL10084430 | 0.70 | ATP1A1 (0.32) | — | |
| SCHEMBL28596910 | 0.70 | — | — | |
| SCHEMBL3391992 | 0.69 | — | — | |
| SCHEMBL4063068 | 0.69 | SCN1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101400653-A | 11-beta HSD1 inhibitors | WYETH CORP (US) | 2009-04-01 | — | — | CN | disclosed |