⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL31722808 | 0.84 | — | — | |
| SCHEMBL16894042 | 0.77 | L3MBTL1 (0.30) | — | |
| SCHEMBL28980620 | 0.67 | ADRA1D (0.32) | — | |
| SCHEMBL87312 | 0.66 | CYP3A4 (0.32) | — | |
| Bromide SCHEMBL1045354 | 0.64 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL572769 | 0.64 | CYP3A4 (0.31) | — | |
| Iodide SCHEMBL2341578 | 0.64 | CYP3A4 (0.31) | — | |
| SCHEMBL618855 | 0.63 | — | — | |
| SCHEMBL7776632 | 0.63 | — | — | |
| SCHEMBL8674124 | 0.62 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8067644-B2 | Process for conducting an organic reaction in ionic liquids | THE PROCTER & GAMBLE COMPANY (US) | 2011-11-29 | — | — | US | disclosed |
| EP-2370387-A2 | PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS | The Procter & Gamble Company (US) | 2011-10-05 | — | — | EP | disclosed |
| US-20110152566-A1 | Process for Conducting an Organic Reaction in Ionic Liquids | THE PROCTER & GAMBLE COMPANY | 2011-06-23 | — | — | US | disclosed |
| WO-2010080505-A2 | PROCESS FOR CONDUCTING AN ORGANIC REACTION IN IONIC LIQUIDS | THE PROCTER & GAMBLE COMPANY (US) | 2010-07-15 | — | — | WO | disclosed |
| EP-0821676-B1 | 3-PHENYL-1,4-DIALKYL-1,2,4-TRIAZOLIUM SALTS AND THEIR USE AS ANTIDEPRESSANTS | AVENTIS PHARMA INC (US) | 2000-07-05 | — | — | EP | disclosed |
| US-5856350-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-05 | — | — | US | disclosed |
| EP-0821676-A1 | 3-PHENYL-1,4-DIALKYL-1,2,4-TRIAZOLIUM SALTS AND THEIR USE AS ANTIDEPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033177-A1 | 3-PHENYL-1,4-DIALKYL-1,2,4-TRIAZOLIUM SALTS AND THEIR USE AS ANTIDEPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-10-24 | — | — | WO | disclosed |