⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2843552 | 0.72 | — | — | |
| SCHEMBL3667278 | 0.70 | — | — | |
| SCHEMBL10667094 | 0.65 | — | — | |
| SCHEMBL4472550 | 0.64 | HCAR2 (0.33) | — | |
| SCHEMBL4282740 | 0.63 | — | — | |
| SCHEMBL2914680 | 0.62 | — | — | |
| SCHEMBL2846014 | 0.62 | BACE1 (0.37) | — | |
| SCHEMBL2447942 | 0.60 | APP (0.33) | — | |
| SCHEMBL4281846 | 0.59 | DRD2 (0.33) | — | |
| SCHEMBL4292715 | 0.59 | TAAR1 (0.32) | — |
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-2362775-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-09-07 | — | — | EP | disclosed |
| WO-2010059658-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-05-27 | — | — | WO | disclosed |