⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3111066 | 0.75 | CHRNB2 (0.34) | — | |
| SCHEMBL3124949 | 0.73 | TYR (0.31) | — | |
| SCHEMBL3124255 | 0.71 | HDAC4 (0.32) | — | |
| SCHEMBL19333556 | 0.69 | ALDH1A1 (0.58) | — | |
| SCHEMBL291361 | 0.68 | HCAR2 (0.43) | — | |
| SCHEMBL8105843 | 0.68 | HCAR2 (0.43) | — | |
| SCHEMBL17616807 | 0.68 | UGT2B7 (0.52) | — | |
| SCHEMBL3123582 | 0.68 | CYP1A1 (0.32) | — | |
| SCHEMBL3870093 | 0.67 | CHRNA7 (0.37) | — | |
| SCHEMBL13018436 | 0.67 | KDM4E (0.45) | — |
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-5102966-A | Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound | SEKISUI CHEMICAL CO., LTD. (JP) | 1992-04-07 | — | — | US | disclosed |