⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11222090 | 0.87 | PDPK1 (0.32) | — | |
| SCHEMBL766489 | 0.86 | HRH3 (0.35) | — | |
| SCHEMBL6029478 | 0.86 | CASP1 (0.31) | — | |
| SCHEMBL7490404 | 0.84 | ADORA2A (0.43) | — | |
| SCHEMBL38911 | 0.83 | HRH1 (0.38) | — | |
| SCHEMBL4551801 | 0.83 | ADORA2A (0.44) | — | |
| SCHEMBL6379581 | 0.82 | HRH2 (0.37) | — | |
| SCHEMBL215053 | 0.81 | ADORA2A (0.40) | — | |
| SCHEMBL15242300 | 0.80 | LMNA (0.33) | — | |
| Hydrochloric Acid SCHEMBL7735731 | 0.79 | ADORA2A (0.40) | — |
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-2017222402-A1 | POLYBENZIMIDAZOLE POLYMER WITH E'UNCTIONALIZED SPACER CHAIN AND ITS METHOD OF PREPARATION FOR REMOVAL OF GENOTOXIC IMPURITIES | INSTITUTO SUPERIOR TÉCNICO (PT) | 2017-12-28 | — | — | WO | disclosed |