⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1161906 | 0.77 | — | — | |
| SCHEMBL8015287 | 0.75 | — | — | |
| SCHEMBL23647973 | 0.72 | — | — | |
| SCHEMBL10895362 | 0.69 | TRPA1 (0.38) | — | |
| SCHEMBL325087 | 0.69 | TRPA1 (0.38) | — | |
| SCHEMBL28341893 | 0.69 | — | — | |
| SCHEMBL26134 | 0.69 | — | — | |
| SCHEMBL432583 | 0.69 | — | — | |
| SCHEMBL15302 | 0.69 | — | — | |
| SCHEMBL11290406 | 0.69 | — | — |
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-6242623-B1 | POLYMERIZATION CATALYSTS OF COORDINATION CATALYSTS | SYMYX TECHNOLOGIES, INC. | 2001-06-05 | — | — | US | claimed |