⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175266 | 0.59 | — | — | |
| SCHEMBL11224054 | 0.50 | — | — | |
| SCHEMBL18583040 | 0.47 | — | — | |
| SCHEMBL2825402 | 0.47 | — | — | |
| SCHEMBL345819 | 0.47 | — | — | |
| SCHEMBL23721699 | 0.43 | — | — | |
| SCHEMBL5133363 | 0.43 | — | — | |
| SCHEMBL1418382 | 0.43 | — | — | |
| SCHEMBL7617769 | 0.43 | — | — | |
| SCHEMBL3818637 | 0.43 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7914905-B2 | π-conjugated aromatic ring-containing compound and organic electroluminescent device | FUMIE SATO (JP) | 2011-03-29 | — | — | US | disclosed |
| US-20070176164-A1 | -Conjugated aromatic ring-containing compound and organic electroluminescent device | FUMIE SATO (JP) | 2007-08-02 | — | — | US | disclosed |
| US-6795230-B1 | Self-assembled molecular color switch | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2004-09-21 | — | — | US | disclosed |