⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703771 | 0.80 | — | — | |
| SCHEMBL1061906 | 0.76 | — | — | |
| SCHEMBL10352331 | 0.70 | — | — | |
| SCHEMBL11006236 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL10477942 | 0.70 | — | — | |
| Methane SCHEMBL20418915 | 0.70 | — | — | |
| SCHEMBL7060134 | 0.70 | — | — | |
| SCHEMBL301647 | 0.70 | — | — | |
| SCHEMBL8925902 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL503396 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2148742-B1 | SEPARATION OF N,N,N'-TRIMETHYLBISAMINOETHYLETHER FROM MIXTURES COMPRISING TERTIARY AMINES OR TERTIARY AMINOALKYLETHERS | HUNTSMAN INT LLC (US) | 2014-04-16 | — | — | EP | claimed |
| US-20170365799-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2017-12-21 | — | — | US | disclosed |
| EP-1446436-A1 | METHOD FOR PRODUCING POLYURETHANES | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003042269-A1 | METHOD FOR PRODUCING POLYURETHANES | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-22 | — | — | WO | disclosed |
| EP-0897402-A1 | PROCESS FOR PRODUCING ELASTIC POLYURETHANE MOULDINGS WITH COMPACT SURFACES AND CELLULAR CORES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-24 | — | — | EP | disclosed |
| WO-1997042244-A1 | PROCESS FOR PRODUCING ELASTIC POLYURETHANE MOULDINGS WITH COMPACT SURFACES AND CELLULAR CORES | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-13 | — | — | WO | disclosed |
| US-5191015-A | Solid phase synthesis on crosslinked polymer, removal of crosslinks to solubilize | MEDICAL RESEARCH COUNCIL (GB) | 1993-03-02 | — | — | US | disclosed |
| EP-0394318-A1 | POLYMERS AND POLYMER-PEPTIDE CONJUGATES | MEDICAL RESEARCH COUNCIL (GB) | 1990-10-31 | — | — | EP | disclosed |
| WO-1989005305-A1 | POLYMERS AND POLYMER-PEPTIDE CONJUGATES | 3I RESEARCH EXPLOITATION LIMITED (GB) | 1989-06-15 | — | — | WO | disclosed |