⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14720669 | 0.76 | PLG (0.36) | — | |
| SCHEMBL14720385 | 0.76 | PLG (0.36) | — | |
| SCHEMBL8084701 | 0.69 | — | — | |
| SCHEMBL3830768 | 0.65 | NQO2 (0.32) | — | |
| SCHEMBL3915360 | 0.65 | NQO2 (0.32) | — | |
| SCHEMBL9911530 | 0.64 | PLG (0.48) | — | |
| SCHEMBL12871182 | 0.64 | PLG (0.48) | — | |
| SCHEMBL4074836 | 0.63 | LMNA (0.38) | — | |
| SCHEMBL104225 | 0.62 | — | — | |
| SCHEMBL13884246 | 0.62 | SIGMAR1 (0.45) | — |
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-2013028445-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-02-28 | — | — | WO | disclosed |