⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13675434 | 0.80 | METAP1 (0.39) | — | |
| SCHEMBL902504 | 0.78 | — | — | |
| SCHEMBL20879315 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL13673858 | 0.77 | — | — | |
| SCHEMBL13675436 | 0.77 | OPRM1 (0.39) | — | |
| SCHEMBL13675431 | 0.76 | ANPEP (0.36) | — | |
| SCHEMBL8227777 | 0.75 | — | — | |
| SCHEMBL13452759 | 0.74 | — | — | |
| SCHEMBL4159271 | 0.74 | — | — | |
| SCHEMBL13452784 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090247519-A1 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-10-01 | — | — | US | disclosed |