⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7618534 | 0.80 | — | — | |
| SCHEMBL2185232 | 0.74 | — | — | |
| SCHEMBL1031171 | 0.74 | — | — | |
| SCHEMBL1033383 | 0.74 | — | — | |
| SCHEMBL21417686 | 0.73 | — | — | |
| SCHEMBL3000289 | 0.73 | — | — | |
| SCHEMBL30888062 | 0.73 | — | — | |
| SCHEMBL2995714 | 0.73 | — | — | |
| SCHEMBL9405675 | 0.71 | — | — | |
| SCHEMBL587488 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428796-A | S (alkynyl of 4 (the methylbutyryl epoxide of 3 fluorine 3) fourth 2) 6 α, the crystal form of the β carbothioic acid esters of 1,4 diene of the α of 9 α difluoros 17 (base of furans 2) carbonyloxy group 11 β hydroxyls, 16 α methyl, 3 oxoandrost 17 | 太阳医药高级研究有限公司 | 2017-12-01 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-0309514-B2 | MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE | MERCK PATENT GMBH (DE) | 1997-10-15 | — | — | EP | disclosed |
| US-5478496-A | Media containing thiazole derivatives and thiadiazole derivatives and having a smectic liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-12-26 | — | — | US | disclosed |
| EP-0309514-B1 | MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1992-12-02 | — | — | EP | disclosed |
| EP-0309514-A1 | MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE. | MERCK PATENT GMBH (DE) | 1989-04-05 | — | — | EP | disclosed |
| WO-1988008019-A1 | MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-20 | — | — | WO | disclosed |