⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24533522 | 0.81 | — | — | |
| SCHEMBL7633971 | 0.77 | — | — | |
| SCHEMBL25222005 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL15724447 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL7639560 | 0.72 | KIF11 (0.31) | — | |
| SCHEMBL7705815 | 0.72 | — | — | |
| SCHEMBL14499012 | 0.72 | RAPGEF4 (0.30) | — | |
| SCHEMBL7641451 | 0.72 | — | — | |
| SCHEMBL7879433 | 0.69 | CYP4F2 (0.37) | — | |
| SCHEMBL13088223 | 0.68 | — | — |
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-6369279-B1 | STYRENE WITH ETHER OR FLUORINE GROUPS FOR POLYMERS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-04-09 | — | — | US | disclosed |