⚠ 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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL1539835 | 0.74 | — | — | |
| Propynal SCHEMBL9393 | 0.73 | — | — | |
| Thiophene SCHEMBL27805620 | 0.71 | — | — | |
| Thiophene SCHEMBL29642517 | 0.71 | — | — | |
| Thiophene SCHEMBL27261179 | 0.71 | — | — | |
| Thiophene SCHEMBL9620475 | 0.71 | — | — | |
| Thiophene SCHEMBL28119714 | 0.71 | — | — | |
| Thiophene SCHEMBL5017616 | 0.71 | — | — | |
| Thiophene SCHEMBL20595533 | 0.71 | — | — | |
| Thiophene SCHEMBL27475589 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103483557-B | A kind of dithieno benzene polymer and its preparation method and application | 南京友斯贝特光电材料有限公司 | 2017-03-01 | — | — | CN | disclosed |