⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12314779 | 0.80 | SELE (0.33) | — | |
| SCHEMBL11892900 | 0.78 | SELE (0.33) | — | |
| SCHEMBL1620150 | 0.77 | — | — | |
| SCHEMBL12336836 | 0.73 | — | — | |
| SCHEMBL15276697 | 0.72 | — | — | |
| SCHEMBL12651752 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL11892874 | 0.71 | — | — | |
| SCHEMBL20306486 | 0.70 | — | — | |
| SCHEMBL11892862 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL18725315 | 0.65 | — | — |
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-9650461-B2 | Semiconductor materials prepared from dithienylvinylene copolymers | BASF SE (DE) | 2017-05-16 | — | — | US | disclosed |