⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14896297 | 0.75 | DGAT1 (0.32) | — | |
| SCHEMBL25760627 | 0.71 | — | — | |
| SCHEMBL2838003 | 0.71 | CHRM2 (0.30) | — | |
| SCHEMBL25879979 | 0.70 | HPGD (0.31) | — | |
| SCHEMBL27459045 | 0.69 | CHRM2 (0.43) | — | |
| SCHEMBL27301574 | 0.67 | USP2 (0.44) | — | |
| SCHEMBL31333761 | 0.67 | HRH3 (0.41) | — | |
| SCHEMBL156363 | 0.67 | USP2 (0.56) | — | |
| SCHEMBL30984754 | 0.66 | USP2 (0.50) | — | |
| SCHEMBL26049353 | 0.66 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014008223-A2 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2014-01-09 | — | — | WO | disclosed |