⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9938685 | 0.65 | — | — | |
| SCHEMBL1292065 | 0.49 | — | — | |
| SCHEMBL10773602 | 0.48 | — | — | |
| SCHEMBL1263979 | 0.47 | — | — | |
| SCHEMBL10758404 | 0.39 | — | — | |
| SCHEMBL722089 | 0.39 | — | — | |
| SCHEMBL3506509 | 0.39 | — | — | |
| Benzoquinone SCHEMBL5308519 | 0.36 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL3208089 | 0.36 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.36 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011156478-A2 | POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-12-15 | — | — | WO | disclosed |