⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL647672 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6448210 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL645056 | 0.67 | — | — | |
| SCHEMBL339681 | 0.61 | — | — | |
| SCHEMBL10919953 | 0.58 | — | — | |
| SCHEMBL15535721 | 0.58 | MAOA (0.39) | — | |
| SCHEMBL27448383 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL3073788 | 0.57 | — | — | |
| SCHEMBL30031817 | 0.57 | CYP11B1 (0.36) | — | |
| SCHEMBL29008132 | 0.57 | HTR2A (0.34) | — |
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-1673354-B1 | ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-04-22 | — | — | EP | disclosed |