⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12068970 | 0.90 | — | — | |
| SCHEMBL14620265 | 0.61 | — | — | |
| SCHEMBL14868220 | 0.57 | — | — | |
| SCHEMBL12168968 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL30971006 | 0.56 | TSHR (0.35) | — | |
| SCHEMBL21880283 | 0.54 | TSHR (0.38) | — | |
| SCHEMBL14275465 | 0.51 | ALDH1A1 (0.32) | — | |
| SCHEMBL7719819 | 0.51 | — | — | |
| SCHEMBL31634625 | 0.50 | TSHR (0.43) | — | |
| SCHEMBL811182 | 0.50 | ALOX15 (0.32) | — |
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 |