⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL981128 | 0.74 | — | — | |
| SCHEMBL11619492 | 0.74 | — | — | |
| SCHEMBL13261879 | 0.70 | CYP3A4 (0.48) | — | |
| SCHEMBL17686521 | 0.70 | — | — | |
| SCHEMBL10961859 | 0.70 | MAPT (0.62) | — | |
| SCHEMBL2807136 | 0.70 | KMT2A (1.00) | — | |
| SCHEMBL11853770 | 0.69 | KDM4E (0.68) | — | |
| SCHEMBL8368041 | 0.68 | CA1 (0.56) | — | |
| SCHEMBL11864019 | 0.67 | KMT2A (0.60) | — | |
| SCHEMBL7636640 | 0.67 | CA1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118772100-A | Green technology for synthesizing 4-methyl-6-alkyl-2H-pyran-2-one | 无锡小荷智化科技有限公司 | 2024-10-15 | — | — | CN | disclosed |
| CN-103145666-B | 4-substituted alpha-pyrone derivative as well as preparation method and application thereof | BIOLOGY INST SHANDONG ACAD SCI | 2015-04-22 | — | — | CN | disclosed |
| CN-103145666-A | 4-substituted alpha-pyrone derivative as well as preparation method and application thereof | BIOLOGY INST SHANDONG ACAD SCI | 2013-06-12 | — | — | CN | disclosed |