⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14158619 | 0.70 | CDK5 (0.35) | — | |
| SCHEMBL18393434 | 0.67 | MTOR (0.47) | — | |
| SCHEMBL18393435 | 0.67 | MTOR (0.47) | — | |
| SCHEMBL14158908 | 0.66 | KDR (0.32) | — | |
| SCHEMBL13857873 | 0.65 | ADK (0.45) | — | |
| SCHEMBL24650664 | 0.59 | MTOR (0.54) | — | |
| SCHEMBL30674367 | 0.59 | L3MBTL1 (0.46) | — | |
| SCHEMBL31701095 | 0.59 | L3MBTL1 (0.36) | — | |
| SCHEMBL18508880 | 0.59 | L3MBTL1 (0.36) | — | |
| SCHEMBL15753342 | 0.58 | DGAT1 (0.40) | — |
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-2717694-A1 | NOVEL COMPOUNDS | GlaxoSmithKline Intellectual Property Limited (GB) | 2014-04-16 | — | — | EP | disclosed |
| WO-2012170752-A1 | NOVEL COMPOUNDS | GLAXO WELLCOME MANUFACTURING PTE LTD (SG) | 2012-12-13 | — | — | WO | disclosed |