⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13768544 | 0.86 | PTGS1 (0.36) | — | |
| SCHEMBL12742127 | 0.78 | RNPEP (0.30) | — | |
| SCHEMBL14434829 | 0.71 | USP5 (0.32) | — | |
| SCHEMBL24827444 | 0.70 | — | — | |
| SCHEMBL22746341 | 0.68 | — | — | |
| SCHEMBL19265204 | 0.68 | — | — | |
| SCHEMBL294443 | 0.66 | — | — | |
| SCHEMBL15015166 | 0.64 | — | — | |
| SCHEMBL16257980 | 0.64 | TP53 (0.31) | — | |
| SCHEMBL24362153 | 0.63 | — | — |
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-2013037985-A1 | PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS | GENMEDICA THERAPUTICS SL (ES) | 2013-03-21 | — | — | WO | disclosed |