⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL868937 | 0.87 | CDK9 (0.31) | — | |
| SCHEMBL14655508 | 0.84 | CDK9 (0.31) | — | |
| SCHEMBL868752 | 0.83 | EIF2AK3 (0.42) | — | |
| SCHEMBL868939 | 0.78 | — | — | |
| SCHEMBL14655695 | 0.73 | EIF2AK3 (0.45) | — | |
| SCHEMBL869571 | 0.69 | BRD4 (0.39) | — | |
| SCHEMBL869093 | 0.65 | EIF2AK3 (0.55) | — | |
| SCHEMBL867820 | 0.61 | BRD4 (0.39) | — | |
| SCHEMBL869628 | 0.59 | EIF2AK3 (0.44) | — | |
| SCHEMBL868864 | 0.56 | EIF2AK3 (0.74) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2549868-B1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2015-01-07 | — | — | EP | disclosed |
| US-8598156-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2013-12-03 | — | — | US | disclosed |
| US-20130018038-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC | 2013-01-17 | — | — | US | disclosed |
| US-20120077828-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC | 2012-03-29 | — | — | US | disclosed |