⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4565553 | 0.79 | FGFR1 (0.37) | — | |
| SCHEMBL4565577 | 0.79 | SGK1 (0.46) | — | |
| SCHEMBL4569982 | 0.75 | PTPN1 (0.39) | — | |
| SCHEMBL4565426 | 0.74 | TGFBR1 (0.38) | — | |
| SCHEMBL4565379 | 0.72 | IRAK4 (0.34) | — | |
| SCHEMBL4564399 | 0.70 | FASN (0.37) | — | |
| SCHEMBL4564770 | 0.69 | NR3C1 (0.33) | — | |
| SCHEMBL4565380 | 0.69 | ALOX5AP (0.36) | — | |
| SCHEMBL4564364 | 0.68 | HTR6 (0.36) | — | |
| SCHEMBL4562348 | 0.68 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2637660-A1 | FATTY ACID SYNTHASE INHIBITORS | Glaxosmithkline Intellectual Property (No. 2) Limited (GB) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064642-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2012-05-18 | — | — | WO | disclosed |