⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4443306 | 0.89 | S100A4 (0.32) | — | |
| SCHEMBL4436652 | 0.89 | S100A4 (0.32) | — | |
| SCHEMBL18433572 | 0.75 | — | — | |
| SCHEMBL20434460 | 0.70 | APP (0.38) | — | |
| SCHEMBL2150129 | 0.70 | HSP90AA1 (0.30) | — | |
| SCHEMBL12970252 | 0.68 | — | — | |
| SCHEMBL470137 | 0.67 | — | — | |
| SCHEMBL626293 | 0.67 | — | — | |
| SCHEMBL15220266 | 0.66 | S100A4 (0.32) | — | |
| SCHEMBL14063085 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2132213-B1 | SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH | UNIV KENTUCKY RES FOUND (US) | 2013-05-15 | — | — | EP | disclosed |