⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL714904 | 0.84 | PTGS1 (0.32) | — | |
| SCHEMBL7348088 | 0.82 | CCR5 (0.30) | — | |
| SCHEMBL712432 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL30147933 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL7410186 | 0.76 | TACR1 (0.32) | — | |
| SCHEMBL10478328 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL4062005 | 0.72 | — | — | |
| SCHEMBL9456026 | 0.71 | — | — | |
| SCHEMBL316864 | 0.71 | DPP4 (0.30) | — | |
| SCHEMBL317432 | 0.68 | ALDH1A1 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101492461-B | Benzimidazole derivative containing alkoxyl oxygen alkyl ethyl substituted pyridine-tetrahydrochysene isoxazole | SHANDONG XUANZHU PHARM TECH CO | 2011-05-18 | — | — | CN | disclosed |
| CN-101492462-B | Benzimidazole derivative containing isoxazole-pyridine | SHANDONG XUANZHU PHARM TECH CO | 2011-04-27 | — | — | CN | disclosed |
| CN-101497623-B | Compound containing imidazopyridine | SHANDONG XUANZHU PHARM TECH CO | 2011-01-12 | — | — | CN | disclosed |
| CN-101497623-A | Compound containing imidazopyridine | SHANDONG XUANZHU MEDICINE SCIE (CN) | 2009-08-05 | — | — | CN | disclosed |
| CN-101492462-A | Benzimidazole derivative containing isoxazole-pyridine | SHANDONG XUANZHU PHARM TECH CO (CN) | 2009-07-29 | — | — | CN | disclosed |
| CN-101492461-A | Benzimidazole derivative containing alkoxyl oxygen alkyl ethyl substituted pyridine-tetrahydrochysene isoxazole | SHANDONG XUANZHU PHARM TECH CO (CN) | 2009-07-29 | — | — | CN | disclosed |