⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1172482 | 0.84 | TSHR (0.40) | — | |
| Bromide SCHEMBL3839421 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL3307844 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL3312771 | 0.78 | — | — | |
| SCHEMBL3379638 | 0.78 | — | — | |
| SCHEMBL98416 | 0.71 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL2468196 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL4231063 | 0.69 | TSHR (0.44) | — | |
| Bromide SCHEMBL636852 | 0.68 | TSHR (0.43) | — | |
| SCHEMBL12762111 | 0.68 | TSHR (0.43) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979361-B1 | OXONIUM AND SULFONIUM SALTS | MERCK PATENT GMBH (DE) | 2010-11-24 | — | — | EP | claimed |
| EP-1979361-B1 | OXONIUM AND SULFONIUM SALTS | MERCK PATENT GMBH (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-2253638-A2 | Fluoralkylfluorophosphate salts | Merck Patent GmbH (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-1831179-B1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-11-03 | — | — | EP | disclosed |
| EP-1979361-A2 | OXONIUM AND SULFONIUM SALTS | Merck Patent GmbH (DE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007087949-A2 | OXONIUM AND SULFONIUM SALTS | MERCK PATENT GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |