⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13273686 | 0.86 | — | — | |
| SCHEMBL23430056 | 0.85 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL25622690 | 0.83 | — | — | |
| SCHEMBL24981891 | 0.83 | — | — | |
| SCHEMBL12122389 | 0.80 | — | — | |
| SCHEMBL18965740 | 0.80 | — | — | |
| SCHEMBL9886608 | 0.78 | — | — | |
| SCHEMBL19860343 | 0.77 | — | — | |
| SCHEMBL15966360 | 0.77 | — | — | |
| SCHEMBL9886631 | 0.77 | — | — |
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-8343382-B2 | Band gap control in conjugated oligomers and polymers via Lewis acids | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-01-01 | — | — | US | disclosed |