⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18268912 | 0.80 | — | — | |
| SCHEMBL7736395 | 0.80 | — | — | |
| SCHEMBL15468762 | 0.78 | — | — | |
| SCHEMBL1014381 | 0.77 | EPHX1 (0.54) | — | |
| SCHEMBL21881997 | 0.77 | GABRP (0.56) | — | |
| SCHEMBL7262533 | 0.71 | — | — | |
| SCHEMBL20839285 | 0.71 | GABRP (0.50) | — | |
| SCHEMBL8631124 | 0.71 | PRKCA (0.49) | — | |
| SCHEMBL6555571 | 0.70 | — | — | |
| SCHEMBL8347546 | 0.69 | GABRP (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009052191-A1 | INTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XENOPORT, INC. (US) | 2009-04-23 | — | — | WO | disclosed |
| US-20090099253-A1 | Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use | XENOPORT, INC. (US) | 2009-04-16 | — | — | US | disclosed |