⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2632326 | 0.83 | — | — | |
| SCHEMBL2623774 | 0.73 | — | — | |
| SCHEMBL2896108 | 0.40 | ALDH1A1 (0.33) | — | |
| SCHEMBL441760 | 0.37 | — | — | |
| SCHEMBL11508764 | 0.35 | — | — | |
| SCHEMBL27730307 | 0.35 | — | — | |
| SCHEMBL28287415 | 0.35 | — | — | |
| Hydrochloric Acid SCHEMBL9783964 | 0.35 | — | — | |
| SCHEMBL4147757 | 0.35 | TSHR (0.90) | — | |
| SCHEMBL9492341 | 0.31 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120091884-A1 | HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) | 2012-04-19 | — | — | US | disclosed |
| WO-2010132953-A1 | HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2010-11-25 | — | — | WO | disclosed |