⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702795 | 0.72 | — | — | |
| SCHEMBL1581256 | 0.69 | — | — | |
| SCHEMBL376799 | 0.67 | GSR (0.35) | — | |
| SCHEMBL6370348 | 0.67 | GSR (0.35) | — | |
| SCHEMBL6389555 | 0.67 | — | — | |
| SCHEMBL1399779 | 0.67 | — | — | |
| SCHEMBL3616997 | 0.67 | — | — | |
| SCHEMBL11641254 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL6129038 | 0.64 | GSR (0.33) | — | |
| SCHEMBL8761861 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1341927-B1 | METHOD OF PREPARING 3-¬2-{(METHYLSULFONYL)OXY}ETHOXY|-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE | PPG IND OHIO INC (US) | 2006-08-02 | — | — | EP | claimed |
| EP-1338593-B1 | Process for the preparation of 3,6-dihydro-2H-pyran-2-carbonic acid esters | BAYER CHEMICALS AG (DE) | 2004-12-01 | — | — | EP | disclosed |
| EP-1338593-A1 | Process for the preparation of 3,6-dihydro-2H-pyran-2-carbonic acid esters | BAYER AG (DE) | 2003-08-27 | — | — | EP | disclosed |
| EP-0379464-A1 | Araliphatic sulfonium salts and their use | CIBA-GEIGY AG (CH) | 1990-07-25 | — | — | EP | disclosed |
| EP-0152377-B1 | CURABLE COMPOSITIONS AND THEIR USE | CIBA-GEIGY AG (CH) | 1987-12-09 | — | — | EP | disclosed |