⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9513753 | 1.00 | — | — | |
| SCHEMBL11002598 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL11002604 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL13954958 | 0.77 | — | — | |
| SCHEMBL28152253 | 0.77 | — | — | |
| SCHEMBL2539177 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL531623 | 0.75 | — | — | |
| SCHEMBL3600650 | 0.75 | — | — | |
| SCHEMBL12872174 | 0.75 | — | — | |
| SCHEMBL318975 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114853585-A | Heterogeneous catalysis double bond isomerization method | 江苏宏邦化工科技有限公司 | 2022-08-05 | — | — | CN | disclosed |
| EP-0274379-B1 | PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS | SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |
| US-4973695-A | FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER | SUGAI CHEMICAL IND. CO., LTD. (JP) | 1990-11-27 | — | — | US | disclosed |
| EP-0274379-A2 | Process for preparing pyridine-2,3-dicarboxylic acid compounds | SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1988-07-13 | — | — | EP | disclosed |