⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28139188 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL27685033 | 0.72 | — | — | |
| SCHEMBL27703799 | 0.72 | — | — | |
| SCHEMBL27685008 | 0.70 | — | — | |
| SCHEMBL27880920 | 0.69 | GRM2 (0.34) | — | |
| SCHEMBL27585797 | 0.68 | — | — | |
| SCHEMBL16785425 | 0.67 | — | — | |
| SCHEMBL14943813 | 0.66 | — | — | |
| SCHEMBL27685026 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL28885335 | 0.64 | CYP3A4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102574410-A | Lithographic printing plate precursor and method for making same | FUJIFILM CORP | 2012-07-11 | — | — | CN | disclosed |
| CN-102548770-A | Method for producing planographic printing plate precursor | FUJIFILM CORP | 2012-07-04 | — | — | CN | disclosed |
| CN-101069129-B | Radiation-curable coating substances | BASF AG | 2010-12-08 | — | — | CN | disclosed |
| CN-101069129-A | Radiation-curable coating substances | BASF AG (DE) | 2007-11-07 | — | — | CN | disclosed |