⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL348335 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL2903858 | 0.72 | CA2 (0.33) | — | |
| SCHEMBL8679941 | 0.72 | L3MBTL1 (0.31) | — | |
| SCHEMBL8961532 | 0.67 | RAPGEF4 (0.34) | — | |
| SCHEMBL8918466 | 0.64 | — | — | |
| SCHEMBL8961421 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL5485666 | 0.64 | — | — | |
| SCHEMBL8679951 | 0.63 | L3MBTL1 (0.35) | — | |
| SCHEMBL2502071 | 0.61 | CYP2A6 (0.39) | — | |
| SCHEMBL14831737 | 0.61 | TRPV4 (0.32) | — |
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-0599580-B1 | Thermal recording sheet | JUJO PAPER CO LTD (JP) | 1996-02-07 | — | — | EP | claimed |