⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27522020 | 0.82 | — | — | |
| SCHEMBL10082259 | 0.77 | — | — | |
| SCHEMBL27513169 | 0.75 | SHBG (0.33) | — | |
| SCHEMBL26340279 | 0.74 | — | — | |
| SCHEMBL21030979 | 0.74 | — | — | |
| SCHEMBL679569 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL22375272 | 0.73 | — | — | |
| SCHEMBL15828963 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL20702336 | 0.71 | — | — | |
| SCHEMBL24677894 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2464645-B1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES INC (US) | 2017-07-05 | — | — | EP | disclosed |
| US-8367722-B2 | Methods of using prodrugs of pregabalin | XENOPORT, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20120035258-A1 | METHODS OF USING PRODRUGS OF PREGABALIN | XENOPORT, INC. (US) | 2012-02-09 | — | — | US | disclosed |