⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4906291 | 0.73 | SIGMAR1 (0.35) | — | |
| SCHEMBL4899566 | 0.70 | GABRA1 (0.32) | — | |
| SCHEMBL7594286 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL10758033 | 0.64 | XDH (0.38) | — | |
| SCHEMBL11405118 | 0.64 | GABRA1 (0.46) | — | |
| SCHEMBL9511172 | 0.64 | FAAH (0.31) | — | |
| SCHEMBL11789192 | 0.63 | LMNA (0.44) | — | |
| SCHEMBL29501701 | 0.63 | SIGMAR1 (0.43) | — | |
| SCHEMBL387118 | 0.62 | GABRA1 (0.48) | — | |
| SCHEMBL9640534 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1324970-B1 | RETINOIDS FOR THE TREATMENT OF EMPHYSEMA | HOFFMANN LA ROCHE (CH) | 2008-11-05 | — | — | EP | disclosed |