⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9940943 | 0.59 | — | — | |
| SCHEMBL9691772 | 0.58 | — | — | |
| SCHEMBL13858019 | 0.53 | — | — | |
| SCHEMBL3569222 | 0.51 | — | — | |
| SCHEMBL17565656 | 0.51 | — | — | |
| SCHEMBL6233876 | 0.51 | — | — | |
| SCHEMBL18797843 | 0.51 | — | — | |
| SCHEMBL3766266 | 0.50 | — | — | |
| SCHEMBL6192010 | 0.50 | — | — | |
| SCHEMBL13416616 | 0.50 | NFKB1 (0.33) | — |
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-5246928-A | Cardiovascular disorders | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-09-21 | — | — | US | disclosed |
| US-5066653-A | Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-11-19 | — | — | US | disclosed |
| US-4906628-A | N-phenylpyridone type III phosphodiesterases | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-03-06 | — | — | US | disclosed |
| EP-0220044-A2 | 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-04-29 | — | — | EP | disclosed |