⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6443334 | 0.97 | — | — | |
| SCHEMBL6443948 | 0.97 | TSHR (0.45) | — | |
| SCHEMBL6445056 | 0.97 | — | — | |
| SCHEMBL882218 | 0.90 | — | — | |
| SCHEMBL11631811 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL2395916 | 0.82 | — | — | |
| SCHEMBL7155296 | 0.78 | TRPA1 (0.50) | — | |
| SCHEMBL7156742 | 0.78 | TRPA1 (0.50) | — | |
| SCHEMBL7155535 | 0.78 | TRPA1 (0.50) | — | |
| SCHEMBL7155007 | 0.78 | TRPA1 (0.50) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105001135-B | Chemical synthetic method for raphanin | 北京化工大学 | 2017-04-12 | — | — | CN | claimed |
| CN-105001135-B | Chemical synthetic method for raphanin | 北京化工大学 | 2017-04-12 | — | — | CN | disclosed |
| CN-105001135-A | Chemical synthetic method for raphanin | UNIV BEIJING CHEMICAL | 2015-10-28 | — | — | CN | disclosed |
| US-6858679-B2 | Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions | FMC CORPORATION (US) | 2005-02-22 | — | — | US | disclosed |
| EP-1028982-B1 | COMPOSITIONS PROVIDING IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS AND PROCESSES FOR IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS | FMC CORP (US) | 2003-10-29 | — | — | EP | disclosed |
| US-20030153693-A1 | Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions | QUIRK RODERIC PAUL (US) | 2003-08-14 | — | — | US | disclosed |
| US-6605564-B1 | Anionic polymerization initiators and salt additives selected from sodium chloride, sodium iodide, potassium chloride, potassium t-butoxide, for increasing the efficiency of reactions between living polymer anions and electrophiles | FMC CORPORATION | 2003-08-12 | — | — | US | disclosed |
| US-6545103-B2 | Living polymers | FMC CORPORATION | 2003-04-08 | — | — | US | disclosed |
| US-20020010082-A1 | Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions | FMC CORPORATION | 2002-01-24 | — | — | US | disclosed |
| EP-1028982-A1 | COMPOSITIONS PROVIDING IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS AND PROCESSES FOR IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS | FMC CORPORATION (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999025740-A1 | COMPOSITIONS PROVIDING IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS AND PROCESSES FOR IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS | FMC CORPORATION (US) | 1999-05-27 | — | — | WO | disclosed |
| US-4080461-A | PESTICIDES, FUNGICIDES | SYNTEX (U.S.A.) INC. (US) | 1978-03-21 | — | — | US | disclosed |
| US-4072696-A | 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity | SYNTEX (U.S.A.) INC. (US) | 1978-02-07 | — | — | US | disclosed |
| US-4002640-A | ANTIFUNGAL AGENTS | SYNTEX (U.S.A.) INC. (US) | 1977-01-11 | — | — | US | disclosed |