⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2171388 | 1.00 | — | — | |
| SCHEMBL568761 | 0.82 | — | — | |
| SCHEMBL3439387 | 0.82 | — | — | |
| SCHEMBL1419592 | 0.71 | AR (0.34) | — | |
| SCHEMBL2170702 | 0.71 | CHRM1 (0.31) | — | |
| SCHEMBL1870915 | 0.71 | AR (0.34) | — | |
| SCHEMBL1134880 | 0.69 | NFKB1 (0.34) | — | |
| SCHEMBL17441316 | 0.69 | KCNH2 (0.35) | — | |
| SCHEMBL17441315 | 0.69 | KCNH2 (0.35) | — | |
| SCHEMBL1872576 | 0.69 | CCNC (0.32) | — |
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-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |