⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27601579 | 1.00 | — | — | |
| SCHEMBL4984202 | 1.00 | — | — | |
| SCHEMBL270159 | 1.00 | — | — | |
| SCHEMBL1785337 | 0.87 | ALDH1A1 (0.48) | — | |
| SCHEMBL12894214 | 0.87 | ALDH1A1 (0.48) | — | |
| SCHEMBL1784549 | 0.87 | ALDH1A1 (0.48) | — | |
| SCHEMBL17967769 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL813121 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL2612027 | 0.84 | ALDH1A1 (0.65) | — | |
| P-Xylene SCHEMBL10684343 | 0.84 | STAT3 (0.43) | — |
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-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |