⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14193400 | 0.74 | — | — | |
| SCHEMBL14193408 | 0.71 | THRB (0.36) | — | |
| SCHEMBL7540613 | 0.70 | — | — | |
| SCHEMBL12135659 | 0.69 | — | — | |
| SCHEMBL5846466 | 0.68 | NPSR1 (0.30) | — | |
| SCHEMBL5846469 | 0.68 | NPSR1 (0.30) | — | |
| SCHEMBL10595015 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL18099880 | 0.61 | — | — | |
| SCHEMBL1300181 | 0.61 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL11528678 | 0.59 | TSHR (0.39) | — |
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-2007014839-A2 | CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-08 | — | — | WO | disclosed |