⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28882219 | 0.85 | — | — | |
| SCHEMBL28345763 | 0.83 | PPARG (0.52) | — | |
| SCHEMBL28535633 | 0.78 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL3048610 | 0.78 | TSHR (0.50) | — | |
| (2E)-Hexenoic Acid SCHEMBL23615 | 0.78 | — | — | |
| SCHEMBL2128303 | 0.78 | TAS1R3 (0.48) | — | |
| (2E)-Hexenoic Acid SCHEMBL23614 | 0.78 | — | — | |
| SCHEMBL8214280 | 0.78 | TAS1R3 (0.48) | — | |
| SCHEMBL9069564 | 0.78 | TAS1R3 (0.48) | — | |
| (2E)-Hexenoic Acid SCHEMBL27373174 | 0.78 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110386855-A | 1- halogenated dienes and the method for preparing it and 16 carbon diene yl acetate of (9E, 11Z) -9,11- | 信越化学工业株式会社 | 2019-10-29 | — | — | CN | disclosed |