⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2310222 | 0.76 | — | — | |
| SCHEMBL5151215 | 0.73 | — | — | |
| SCHEMBL2430393 | 0.71 | — | — | |
| SCHEMBL28845004 | 0.71 | — | — | |
| SCHEMBL12724529 | 0.71 | — | — | |
| SCHEMBL9942642 | 0.69 | — | — | |
| SCHEMBL28907898 | 0.68 | — | — | |
| SCHEMBL11955121 | 0.68 | DYRK1A (0.37) | — | |
| SCHEMBL13379988 | 0.68 | CDK2 (0.41) | — | |
| SCHEMBL24702517 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646020-B1 | INDOLES | GLAXOSMITHKLINE LLC (US) | 2016-09-21 | — | — | EP | disclosed |
| EP-1363705-B9 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2012-11-07 | — | — | EP | disclosed |
| EP-1363705-B1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2012-06-13 | — | — | EP | disclosed |
| US-7897792-B2 | Coumarin derivative having antitumor activity | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-03-01 | — | — | US | disclosed |
| US-20100004233-A1 | NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-01-07 | — | — | US | disclosed |