⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8052676 | 0.85 | — | — | |
| SCHEMBL5014122 | 0.81 | — | — | |
| SCHEMBL2645156 | 0.81 | — | — | |
| SCHEMBL5137899 | 0.77 | — | — | |
| SCHEMBL6438961 | 0.74 | — | — | |
| SCHEMBL3954210 | 0.74 | TRPA1 (0.43) | — | |
| SCHEMBL4954514 | 0.73 | — | — | |
| SCHEMBL9051532 | 0.73 | — | — | |
| SCHEMBL16098658 | 0.73 | — | — | |
| SCHEMBL9770771 | 0.73 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| US-20080188079-A1 | METAL-POLISHING COMPOSITION AND CHEMICAL MECHANICAL POLISHING METHOD BY USING THE SAME | FUJIFILM CORPORATION (JP) | 2008-08-07 | — | — | US | disclosed |