⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27880013 | 0.73 | — | — | |
| SCHEMBL10782647 | 0.73 | — | — | |
| SCHEMBL1004160 | 0.73 | — | — | |
| SCHEMBL14399253 | 0.68 | — | — | |
| SCHEMBL11381514 | 0.66 | — | — | |
| SCHEMBL10971741 | 0.64 | — | — | |
| SCHEMBL23142191 | 0.63 | — | — | |
| SCHEMBL104763 | 0.62 | PYCR1 (0.40) | — | |
| SCHEMBL20136197 | 0.62 | KDM4E (0.32) | — | |
| Formic Acid SCHEMBL27546159 | 0.62 | PYCR1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706885-B2 | HYDROGENATION OF PROTECTED 2,5-DI-(3'-AMINOPROP-1-YNYL) PYRIDINES AND DEPROTECTING TO FORM 2,5-DI-(3'-AMINOPROPYL)-PYRIDINES | MERCK & CO., INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030004353-A1 | Process for preparing integrin antagonist intermediates | MERCK SHARP & DOHME CORP. | 2003-01-02 | — | — | US | disclosed |