⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17190973 | 0.58 | — | — | |
| SCHEMBL23822975 | 0.55 | — | — | |
| SCHEMBL7995091 | 0.52 | — | — | |
| SCHEMBL16237489 | 0.50 | — | — | |
| SCHEMBL27676807 | 0.48 | — | — | |
| SCHEMBL12398342 | 0.48 | — | — | |
| SCHEMBL7273422 | 0.47 | — | — | |
| SCHEMBL12398339 | 0.47 | — | — | |
| SCHEMBL9578188 | 0.47 | CYP1A2 (0.31) | — | |
| Propiolactone SCHEMBL6240411 | 0.47 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004234-A1 | PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS | SCHERING CORPORATION (US) | 2012-01-05 | — | — | US | disclosed |
| US-8017642-B2 | Functionally selective ALPHA2C adrenoreceptor agonists | SCHERING CORPORATION (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100197562-A1 | FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) | 2010-08-05 | — | — | US | disclosed |
| US-20100144816-A1 | FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2010-06-10 | — | — | US | disclosed |