⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7056576 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL9413255 | 0.69 | — | — | |
| SCHEMBL18938808 | 0.58 | NOS3 (0.31) | — | |
| SCHEMBL1919337 | 0.55 | — | — | |
| SCHEMBL18792573 | 0.54 | KDM4E (0.32) | — | |
| Quinoline SCHEMBL15147555 | 0.53 | ALDH1A1 (0.53) | — | |
| SCHEMBL1809291 | 0.53 | CA12 (0.31) | — | |
| SCHEMBL3413991 | 0.53 | RIPK1 (0.55) | — | |
| SCHEMBL3951540 | 0.53 | NPC1 (0.37) | — | |
| SCHEMBL1816373 | 0.52 | CYP2A6 (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-1853604-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006096444-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-09-14 | — | — | WO | disclosed |