⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4330872 | 1.00 | — | — | |
| SCHEMBL17953992 | 1.00 | — | — | |
| SCHEMBL408474 | 1.00 | — | — | |
| SCHEMBL16090839 | 0.91 | BLM (0.41) | — | |
| SCHEMBL19870466 | 0.91 | BLM (0.41) | — | |
| SCHEMBL16090845 | 0.91 | BLM (0.41) | — | |
| SCHEMBL16090846 | 0.91 | BLM (0.41) | — | |
| SCHEMBL1783656 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL1785759 | 0.85 | ALDH1A1 (0.41) | — | |
| SCHEMBL1781561 | 0.83 | PAOX (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 |