⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22136380 | 0.95 | GABBR2 (0.32) | — | |
| SCHEMBL14493482 | 0.86 | PTPN1 (0.33) | — | |
| SCHEMBL13594535 | 0.84 | LMNA (0.32) | — | |
| SCHEMBL13154500 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL14561024 | 0.77 | — | — | |
| SCHEMBL6545435 | 0.77 | — | — | |
| SCHEMBL181688 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL1904561 | 0.75 | LMNA (0.36) | — | |
| SCHEMBL11690376 | 0.75 | — | — | |
| SCHEMBL14561680 | 0.75 | — | — |
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-8475686-B2 | Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound | NOVALED AG (DE) | 2013-07-02 | — | — | US | disclosed |