⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7830739 | 0.81 | PDPK1 (0.41) | — | |
| SCHEMBL7821784 | 0.80 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL7832921 | 0.80 | PDPK1 (0.40) | — | |
| SCHEMBL7249955 | 0.72 | IDO1 (0.43) | — | |
| SCHEMBL1741363 | 0.68 | ADORA2A (0.46) | — | |
| SCHEMBL7833223 | 0.67 | CDC7 (0.32) | — | |
| SCHEMBL7821876 | 0.67 | DRD1 (0.31) | — | |
| SCHEMBL7835031 | 0.67 | — | — | |
| SCHEMBL16415769 | 0.66 | JAK2 (0.34) | — | |
| SCHEMBL7830820 | 0.66 | PDE3B (0.47) | — |
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-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | claimed |