⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL379205 | 0.87 | GRIK1 (0.64) | — | |
| SCHEMBL28591034 | 0.78 | — | — | |
| SCHEMBL3104177 | 0.78 | — | — | |
| SCHEMBL3256811 | 0.75 | — | — | |
| SCHEMBL7557794 | 0.75 | CHRM1 (0.62) | — | |
| SCHEMBL28435149 | 0.75 | FOLH1 (0.56) | — | |
| SCHEMBL5053789 | 0.75 | CHRM1 (0.62) | — | |
| SCHEMBL8847145 | 0.75 | GRIK1 (0.52) | — | |
| SCHEMBL7550179 | 0.75 | GRIK1 (0.62) | — | |
| SCHEMBL149393 | 0.74 | — | — |
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-2011023864-A1 | PSEUDODIPEPTIDES AS MMP INHIBITORS | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2011-03-03 | — | — | WO | disclosed |