⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3280372 | 0.89 | GRM4 (0.31) | — | |
| SCHEMBL3279954 | 0.84 | GRM4 (0.32) | — | |
| SCHEMBL8742727 | 0.84 | GRM4 (0.32) | — | |
| SCHEMBL3279884 | 0.84 | GRM4 (0.34) | — | |
| SCHEMBL3281014 | 0.81 | — | — | |
| SCHEMBL7173545 | 0.80 | GRM4 (0.32) | — | |
| SCHEMBL3333525 | 0.79 | — | — | |
| SCHEMBL3278911 | 0.74 | P2RY10 (0.31) | — | |
| SCHEMBL3279503 | 0.72 | FFAR1 (0.34) | — | |
| SCHEMBL3280332 | 0.72 | LPAR3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002030860-A9 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | claimed |