⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17525135 | 0.83 | — | — | |
| SCHEMBL13814839 | 0.80 | CA1 (0.31) | — | |
| SCHEMBL13818688 | 0.80 | — | — | |
| SCHEMBL17012115 | 0.80 | — | — | |
| SCHEMBL12288556 | 0.79 | — | — | |
| SCHEMBL8213692 | 0.77 | — | — | |
| SCHEMBL14724918 | 0.76 | — | — | |
| SCHEMBL10080252 | 0.76 | — | — | |
| SCHEMBL18976779 | 0.76 | — | — | |
| SCHEMBL13651399 | 0.74 | — | — |
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-1612247-B1 | Ink composition for inkjet recording and method of producing lithographic printing plate using the same | FUJIFILM CORP (JP) | 2008-04-02 | — | — | EP | disclosed |