⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20063344 | 0.73 | ALOX5AP (0.35) | — | |
| SCHEMBL15080606 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL18997680 | 0.62 | PDE10A (0.41) | — | |
| SCHEMBL13335303 | 0.62 | ADRA2A (0.36) | — | |
| SCHEMBL18724769 | 0.60 | ERN1 (0.36) | — | |
| SCHEMBL22593394 | 0.60 | HDAC6 (0.31) | — | |
| SCHEMBL22775440 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL13896967 | 0.60 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL13212918 | 0.59 | ALDH1A1 (0.43) | — | |
| SCHEMBL28306066 | 0.59 | ERN1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014078328-A1 | N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2014-05-22 | — | — | WO | disclosed |