⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6113064 | 1.00 | — | — | |
| SCHEMBL17956292 | 0.77 | MME (0.31) | — | |
| SCHEMBL6722210 | 0.74 | — | — | |
| SCHEMBL224068 | 0.74 | — | — | |
| SCHEMBL28814667 | 0.74 | — | — | |
| SCHEMBL19500051 | 0.74 | — | — | |
| SCHEMBL224069 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL6722213 | 0.72 | TP53 (0.33) | — | |
| SCHEMBL6113334 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL6112990 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3263564-B1 | AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS | CHEMOCENTRYX INC (US) | 2020-06-10 | — | — | EP | disclosed |