⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10066324 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL15468449 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL19827338 | 0.82 | — | — | |
| SCHEMBL2760604 | 0.81 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL20107525 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL20107659 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL14410327 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL10069151 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL13693407 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL24400257 | 0.78 | TSHR (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-20120116038-A1 | RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN, AND FLUORINE-CONTAINING RESIN | TAKESHITA MASARU (JP) | 2012-05-10 | — | — | US | disclosed |