⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL246487 | 0.80 | — | — | |
| SCHEMBL3391334 | 0.71 | POLB (0.35) | — | |
| SCHEMBL539282 | 0.71 | POLB (0.35) | — | |
| SCHEMBL1831745 | 0.70 | — | — | |
| SCHEMBL19207343 | 0.68 | — | — | |
| SCHEMBL29534779 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL14974857 | 0.63 | — | — | |
| SCHEMBL29489277 | 0.62 | TAS1R3 (0.31) | — | |
| SCHEMBL5198091 | 0.61 | — | — | |
| SCHEMBL4608209 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012097078-A2 | VISCOSUPPLEMENTARY MATERIALS | FLEX BIOMEDICAL (US) | 2012-07-19 | — | — | WO | disclosed |
| EP-2280935-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-02-09 | — | — | EP | disclosed |
| EP-2268606-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009132979-A1 | 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-05 | — | — | WO | disclosed |
| WO-2009132978-A1 | 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-11-05 | — | — | WO | disclosed |