⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183554 | 0.97 | — | — | |
| SCHEMBL2873985 | 0.95 | — | — | |
| SCHEMBL28126704 | 0.88 | ALDH1A1 (0.44) | — | |
| Acrylamide SCHEMBL7790400 | 0.86 | TSHR (0.48) | — | |
| SCHEMBL12136578 | 0.80 | LMNA (0.45) | — | |
| SCHEMBL17242152 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL28176459 | 0.77 | — | — | |
| SCHEMBL27767879 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL26517700 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL11004334 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112500276-A | Synthetic method of 4, 4-dimethoxy-2-butanone | 南京硕达生物科技有限公司 | 2021-03-16 | — | — | CN | claimed |
| CN-112500276-A | Synthetic method of 4, 4-dimethoxy-2-butanone | 南京硕达生物科技有限公司 | 2021-03-16 | — | — | CN | disclosed |