⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15509038 | 0.78 | — | — | |
| SCHEMBL2991290 | 0.78 | — | — | |
| SCHEMBL28779201 | 0.76 | — | — | |
| SCHEMBL12923162 | 0.76 | — | — | |
| SCHEMBL10062294 | 0.72 | PPARA (0.34) | — | |
| SCHEMBL14619869 | 0.72 | GABRP (0.50) | — | |
| SCHEMBL3087483 | 0.71 | — | — | |
| SCHEMBL1289816 | 0.71 | — | — | |
| SCHEMBL1516311 | 0.71 | — | — | |
| SCHEMBL7978521 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007284382-A | PRODUCTION METHOD FOR 2,3-DIHYDRO-2,3,5-TRIMETHYL-6-(1-METHYL-2-BUTENYL)-4-H-PYRAN-4-ONE AND INTERMEDIATE USED THEREFOR | FUJI FLAVOR KK | 2007-11-01 | — | — | JP | disclosed |