⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9707599 | 0.94 | ADORA3 (0.40) | — | |
| SCHEMBL9707836 | 0.94 | ADORA3 (0.35) | — | |
| SCHEMBL9708553 | 0.93 | PPARG (0.35) | — | |
| SCHEMBL9708566 | 0.92 | AGTR1 (0.38) | — | |
| SCHEMBL9708607 | 0.91 | DPP4 (0.38) | — | |
| SCHEMBL9708550 | 0.91 | AGTR1 (0.41) | — | |
| SCHEMBL9708116 | 0.90 | PDE5A (0.41) | — | |
| SCHEMBL9707891 | 0.90 | AGTR1 (0.35) | — | |
| SCHEMBL9708014 | 0.90 | AGTR1 (0.36) | — | |
| SCHEMBL9707685 | 0.90 | PPARG (0.35) | — |
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-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |