⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12267781 | 0.86 | PRKCA (0.31) | — | |
| SCHEMBL12786987 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL12729856 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL12267751 | 0.77 | PRKCA (0.31) | — | |
| SCHEMBL12267799 | 0.76 | PRKCA (0.33) | — | |
| SCHEMBL18254442 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL12707569 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL12267730 | 0.72 | MME (0.33) | — | |
| SCHEMBL20076152 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL16433854 | 0.69 | PRKCA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110082120-A1 | SUBSTITUTED THIOACETIC ACID SALICYLATE DERIVATIVES AND THEIR USES | CATABASIS PHARMACEUTICALS, INC. | 2011-04-07 | — | — | US | disclosed |