⚠ 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL5891715 | 0.85 | — | — | |
| Acrolein SCHEMBL2136224 | 0.82 | — | — | |
| Acrolein SCHEMBL29438553 | 0.82 | — | — | |
| Acrolein SCHEMBL27256243 | 0.82 | ALDH1A1 (1.00) | — | |
| Acrolein SCHEMBL2571 | 0.82 | — | — | |
| Acrolein SCHEMBL794083 | 0.82 | — | — | |
| Acrolein SCHEMBL7562157 | 0.78 | — | — | |
| Acrolein SCHEMBL1258925 | 0.78 | — | — | |
| Acrolein SCHEMBL1906023 | 0.78 | — | — | |
| Acrolein SCHEMBL27276598 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0299362-B1 | PROCESS FOR PREPARING PYRIDINE-2,3- DICARBOXYLIC ACID COMPOUNDS | Daiso Co., Ltd. (JP) | 1991-12-04 | — | — | EP | disclosed |