⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1041 | 0.96 | — | — | |
| SCHEMBL5719646 | 0.96 | TSHR (0.46) | — | |
| SCHEMBL4525595 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL4530049 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL4531940 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL4528477 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL4533367 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL4530283 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL3392391 | 0.92 | — | — | |
| SCHEMBL4529308 | 0.92 | TSHR (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106832165-A | A kind of water-soluble imidazoline quaternary ammonium salt as corrosion inhibiter host and its preparation method and application | 广昌达新材料技术服务（深圳）股份有限公司 | 2017-06-13 | — | — | CN | claimed |
| WO-2010113183-A2 | PROCESS FOR THE PREPARATION OF 1-[[[3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-5-YL]METHYL]SULFONYL] PYRROLIDINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS | MSN LABORATORIES LIMITED (IN) | 2010-10-07 | — | — | WO | claimed |
| JP-4230258-A | — | — | None | — | — | JP | disclosed |
| CN-106832165-A | A kind of water-soluble imidazoline quaternary ammonium salt as corrosion inhibiter host and its preparation method and application | 广昌达新材料技术服务（深圳）股份有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-104324748-A | Catalyst for conversion of fructose to 5-hydroxymethylfurfural | UNIV HANGZHOU NORMAL | 2015-02-04 | — | — | CN | disclosed |
| CN-102153527-B | Method for preparing 5-hydroxymethylfurfural with fructose | UNIV ZHEJIANG NORMAL | 2013-01-30 | — | — | CN | disclosed |
| CN-102153527-A | Method for preparing 5-hydroxymethylfurfural with fructose | UNIV ZHEJIANG NORMAL | 2011-08-17 | — | — | CN | disclosed |
| EP-2158197-A1 | METHOD FOR THE PREPARATION OF HIGH PURITY ALMOTRIPTAN | Zentiva, k.s. (CZ) | 2010-03-03 | — | — | EP | disclosed |
| WO-2008151584-A1 | METHOD FOR THE PREPARATION OF HIGH PURITY ALMOTRIPTAN | ZENTIVA, A.S. (CZ) | 2008-12-18 | — | — | WO | disclosed |
| JP-H04230258-A | PREPARATION OF INDOLE DERIVERTIVES | GLAXO GROUP LTD | 1992-08-19 | — | — | JP | disclosed |