⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2623745 | 0.95 | ABCG2 (0.32) | — | |
| SCHEMBL2632322 | 0.88 | CYP2A6 (0.34) | — | |
| SCHEMBL2623748 | 0.86 | RORC (0.37) | — | |
| SCHEMBL2632320 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL13037674 | 0.80 | CYP2A6 (0.38) | — | |
| SCHEMBL2632415 | 0.78 | KIF11 (0.49) | — | |
| SCHEMBL13720708 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL2734058 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL2734385 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL324969 | 0.73 | CA2 (0.46) | — |
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 1 patent. 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 |