⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10817871 | 1.00 | — | — | |
| SCHEMBL24358337 | 0.78 | TRPA1 (0.36) | — | |
| SCHEMBL20379537 | 0.78 | TRPA1 (0.36) | — | |
| SCHEMBL23974341 | 0.78 | LMNA (0.35) | — | |
| Acetone SCHEMBL293563 | 0.76 | TRPA1 (0.35) | — | |
| SCHEMBL1785723 | 0.75 | — | — | |
| SCHEMBL24200063 | 0.74 | — | — | |
| SCHEMBL2130171 | 0.72 | HTT (0.34) | — | |
| SCHEMBL2130164 | 0.72 | HTT (0.34) | — | |
| SCHEMBL9512920 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0101952-B1 | 5-ALKYL-1,6-NAPHTHYRIDIN-2(1H)-ONES, INTERMEDIATES, THEIR PREPARATION AND THEIR CARDIOTONIC USE | STERLING DRUG INC. (US) | 1987-09-23 | — | — | EP | disclosed |
| EP-0204335-A2 | 2(1H)-Pyridin-ones useful as intermediates | STERLING DRUG INC. (US) | 1986-12-10 | — | — | EP | disclosed |
| EP-0101952-A1 | 5-Alkyl-1,6-naphthyridin-2(1H)-ones, intermediates, their preparation and their cardiotonic use | STERLING DRUG INC. (US) | 1984-03-07 | — | — | EP | disclosed |