⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9302994 | 0.80 | TET2 (0.32) | — | |
| SCHEMBL973819 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL973821 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL27823589 | 0.78 | EGLN1 (0.32) | — | |
| SCHEMBL26650993 | 0.75 | CCR2 (0.34) | — | |
| SCHEMBL10701214 | 0.75 | — | — | |
| Acetone SCHEMBL5520081 | 0.70 | TRPA1 (0.36) | — | |
| Acetone SCHEMBL293563 | 0.69 | TRPA1 (0.35) | — | |
| SCHEMBL474842 | 0.67 | TRPA1 (0.38) | — | |
| SCHEMBL474840 | 0.67 | TRPA1 (0.38) | — |
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-0394923-B1 | Photosensitive lithographic printing plate requiring no wetting water | KONISHIROKU PHOTO IND (JP) | 1996-07-03 | — | — | EP | disclosed |