⚠ 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 SCHEMBL168628 | 0.76 | — | — | |
| Thiophene SCHEMBL225198 | 0.76 | — | — | |
| Thiophene SCHEMBL243 | 0.76 | — | — | |
| Thiophene SCHEMBL3887272 | 0.71 | — | — | |
| Thiophene SCHEMBL1222753 | 0.71 | — | — | |
| SCHEMBL40554 | 0.71 | — | — | |
| Thiophene SCHEMBL8451885 | 0.71 | — | — | |
| Thiophene SCHEMBL225070 | 0.71 | — | — | |
| Thiophene SCHEMBL17766903 | 0.71 | — | — | |
| Thiophene SCHEMBL4349054 | 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-110818730-A | Thiophene pyrrolopyrrole diketone and hemiindigo based solution-processable conjugated small molecule semiconductor material | 合肥工业大学 | 2020-02-21 | — | — | CN | disclosed |