⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12138626 | 0.84 | GAA (0.35) | — | |
| SCHEMBL12873254 | 0.82 | MMP8 (0.30) | — | |
| SCHEMBL2171475 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL28896485 | 0.80 | MMP8 (0.31) | — | |
| SCHEMBL19601182 | 0.79 | — | — | |
| SCHEMBL2380925 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL20987951 | 0.78 | — | — | |
| SCHEMBL29080699 | 0.76 | NAAA (0.33) | — | |
| SCHEMBL29080700 | 0.76 | NAAA (0.33) | — | |
| Ethane SCHEMBL28422864 | 0.76 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7883574-B2 | Methods of making nanosized particles of benzimidazolone pigments | XEROX CORPORATION (US) | 2011-02-08 | — | — | US | disclosed |
| US-20100004360-A1 | METHODS OF MAKING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS | XEROX CORPORATION (US) | 2010-01-07 | — | — | US | disclosed |