⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5755219 | 0.85 | — | — | |
| SCHEMBL1117797 | 0.84 | POLB (0.31) | — | |
| Hydrochloric Acid SCHEMBL27832467 | 0.82 | POLB (0.30) | — | |
| Water SCHEMBL28206745 | 0.82 | POLB (0.30) | — | |
| Hydrogen Sulfide SCHEMBL28207789 | 0.82 | POLB (0.30) | — | |
| Hydrochloric Acid SCHEMBL28642702 | 0.82 | POLB (0.30) | — | |
| Hydrochloric Acid SCHEMBL28208398 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28207816 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL28045656 | 0.73 | L3MBTL1 (0.33) | — | |
| SCHEMBL29575931 | 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 |
|---|---|---|---|---|---|---|---|
| US-20090136570-A1 | Taste-Masked Tablets and Granules | UNIVERSITAT ZURICH (CH) | 2009-05-28 | — | — | US | disclosed |
| WO-2007087188-A2 | TASTE-MASKED TABLETS AND GRANULES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |
| WO-2006060225-A2 | PROCESS FOR ASYMMETRIC SYNTHESIS OF HEXAHYDROPYRIMIDO[1,2-A] AZEPINE-2-CARBOXAMIDES AND RELATED COMPOUNDS | MERCK & CO., INC. (US) | 2006-06-08 | — | — | WO | disclosed |