⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7654768 | 0.82 | — | — | |
| SCHEMBL10723553 | 0.82 | — | — | |
| SCHEMBL6131458 | 0.76 | — | — | |
| SCHEMBL108676 | 0.76 | — | — | |
| SCHEMBL9802735 | 0.74 | — | — | |
| SCHEMBL6792791 | 0.74 | — | — | |
| SCHEMBL9298976 | 0.74 | — | — | |
| Fluoride SCHEMBL5915263 | 0.73 | — | — | |
| SCHEMBL10607722 | 0.73 | — | — | |
| SCHEMBL6792788 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | claimed |