⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11722585 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL3521289 | 0.73 | — | — | |
| SCHEMBL3525456 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL1157619 | 0.67 | IDO1 (0.38) | — | |
| SCHEMBL2261820 | 0.65 | KCNN4 (0.47) | — | |
| SCHEMBL3365796 | 0.60 | TSHR (0.60) | — | |
| SCHEMBL3134183 | 0.58 | LMNA (0.52) | — | |
| SCHEMBL9066602 | 0.56 | ALDH1A1 (0.40) | — | |
| SCHEMBL2868266 | 0.54 | TSHR (0.40) | — | |
| Iodide SCHEMBL8578028 | 0.52 | KIF11 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833691-B2 | Heterocycle-bearing onium salts | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20080161520-A1 | Heterocycle-bearing onium salts | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2008-07-03 | — | — | US | disclosed |
| US-7318991-B2 | Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2008-01-15 | — | — | US | disclosed |
| US-20050233253-A1 | Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether | WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) | 2005-10-20 | — | — | US | disclosed |
| US-20050020710-A1 | Hybrid onium salt | WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) | 2005-01-27 | — | — | US | disclosed |