⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38660849 | 0.80 | — | — | |
| SCHEMBL993048 | 0.74 | — | — | |
| SCHEMBL1967267 | 0.72 | — | — | |
| SCHEMBL7128934 | 0.72 | — | — | |
| SCHEMBL10297559 | 0.72 | — | — | |
| SCHEMBL5697121 | 0.72 | — | — | |
| SCHEMBL11971581 | 0.71 | TP53 (0.36) | — | |
| SCHEMBL4257863 | 0.70 | — | — | |
| SCHEMBL22968841 | 0.69 | TRPA1 (0.31) | — | |
| SCHEMBL369814 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002053780-A | WATER BASE INK COMPOSITION | SEIKO EPSON CORP | 2002-02-19 | — | — | JP | disclosed |