⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12632154 | 0.92 | ANPEP (0.33) | — | |
| SCHEMBL13675441 | 0.91 | MEN1 (0.36) | — | |
| SCHEMBL21082771 | 0.89 | MEN1 (0.41) | — | |
| SCHEMBL10258262 | 0.89 | MEN1 (0.41) | — | |
| SCHEMBL8086449 | 0.86 | CTSD (0.32) | — | |
| SCHEMBL13502998 | 0.80 | CTSD (0.34) | — | |
| SCHEMBL20394613 | 0.78 | — | — | |
| SCHEMBL13256329 | 0.78 | — | — | |
| SCHEMBL13673869 | 0.77 | ANPEP (0.35) | — | |
| SCHEMBL7514984 | 0.76 | ANPEP (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1877401-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | Elan Pharmaceuticals Inc. (US) | 2008-01-16 | — | — | EP | claimed |
| WO-2006113140-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | ELAN PHARMACEUTICALS, INC. (US) | 2006-10-26 | — | — | WO | claimed |
| WO-2007125331-A2 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |