⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL369085 | 0.73 | — | — | |
| SCHEMBL12158594 | 0.67 | CA1 (0.32) | — | |
| Sulfuric Acid SCHEMBL30552162 | 0.61 | CA5A (0.38) | — | |
| SCHEMBL19720137 | 0.59 | — | — | |
| SCHEMBL1323076 | 0.57 | — | — | |
| SCHEMBL2992488 | 0.56 | CA1 (0.33) | — | |
| SCHEMBL6132821 | 0.55 | — | — | |
| SCHEMBL2519935 | 0.55 | — | — | |
| SCHEMBL29600843 | 0.55 | ALDH1A1 (0.38) | — | |
| SCHEMBL8818056 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1910329-A1 | 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE | Bayer HealthCare AG (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007025604-A1 | 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE | BAYER HEALTHCARE AG (DE) | 2007-03-08 | — | — | WO | disclosed |