⚠ 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 SCHEMBL15820961 | 0.97 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL15821052 | 0.97 | ALDH1A1 (0.30) | — | |
| Acetic Acid SCHEMBL17273375 | 0.87 | FFAR3 (0.35) | — | |
| SCHEMBL38660849 | 0.80 | — | — | |
| SCHEMBL15825612 | 0.79 | — | — | |
| SCHEMBL8149485 | 0.76 | — | — | |
| SCHEMBL18290171 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL258905 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL113474 | 0.74 | — | — | |
| Isopropyl Alcohol SCHEMBL819479 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014001664-A1 | ABSORBENT SOLUTION MADE FROM TERTIARY DIAMINES BELONGING TO THE HINDERED AMINOETHYL MORPHOLINE FAMILY AND METHOD FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT | IFP Energies Nouvelles (FR) | 2014-01-03 | — | — | WO | disclosed |
| EP-1812381-B1 | ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE | SHOWA DENKO KK (JP) | 2011-02-16 | — | — | EP | disclosed |
| US-7579066-B2 | Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use | SHOWA DENKO K.K. (JP) | 2009-08-25 | — | — | US | disclosed |
| US-20080132597-A1 | Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use | RESONAC CORPORATION (JP) | 2008-06-05 | — | — | US | disclosed |
| EP-1812381-A1 | ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE | SHOWA DENKO KABUSHIKI KAISHA (JP) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006049264-A1 | ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE | SHOWA DENKO K.K. (JP) | 2006-05-11 | — | — | WO | disclosed |