⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1653 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL15506263 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL19611522 | 0.75 | ALDH1A1 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL5079696 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL17178869 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL3092125 | 0.71 | — | — | |
| SCHEMBL622351 | 0.71 | — | — | |
| SCHEMBL2270 | 0.71 | — | — | |
| SCHEMBL774900 | 0.71 | — | — | |
| SCHEMBL1506483 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563801-A2 | SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS | Univerzita Palackého v Olomouci (CZ) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011134444-A9 | SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2012-02-16 | — | — | WO | disclosed |
| WO-2011134444-A2 | SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2011-11-03 | — | — | WO | disclosed |