⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15551743 | 0.83 | — | — | |
| SCHEMBL13675393 | 0.79 | — | — | |
| SCHEMBL5019147 | 0.78 | — | — | |
| SCHEMBL8226863 | 0.77 | ANPEP (0.32) | — | |
| SCHEMBL8221517 | 0.77 | ANPEP (0.32) | — | |
| SCHEMBL13675394 | 0.77 | ANPEP (0.32) | — | |
| SCHEMBL13675395 | 0.77 | ANPEP (0.32) | — | |
| SCHEMBL18786304 | 0.76 | — | — | |
| SCHEMBL13673852 | 0.76 | ANPEP (0.46) | — | |
| SCHEMBL13675447 | 0.76 | ANPEP (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2822555-B1 | INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN | LEXICON PHARMACEUTICALS INC (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-3235499-A2 | INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN | Lexicon Pharmaceuticals, Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| US-20090247519-A1 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-10-01 | — | — | US | disclosed |
| WO-2007125331-A2 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |