⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12830087 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL5154280 | 0.72 | — | — | |
| SCHEMBL8028559 | 0.68 | — | — | |
| SCHEMBL27522908 | 0.68 | — | — | |
| SCHEMBL224926 | 0.68 | CYP2A6 (0.33) | — | |
| SCHEMBL3325856 | 0.67 | IKBKB (0.38) | — | |
| Hydrochloric Acid SCHEMBL27580971 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL2883322 | 0.66 | MAPT (0.42) | — | |
| SCHEMBL18999975 | 0.65 | KDM4E (0.56) | — | |
| SCHEMBL10298787 | 0.63 | GRM6 (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004386-A1 | CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME | UNIVERSITE DE MONTREAL (CA) | 2012-01-05 | — | — | US | disclosed |
| US-8034895-B2 | Conjugated thiophenes having conducting properties and synthesis of same | Université de Montréal (CA) | 2011-10-11 | — | — | US | disclosed |
| US-20070287842-A1 | Conjugated Thiophenes Having Conducting Properties and Synthesis of Same | UNIVERSITE DE MONTREAL (CA) | 2007-12-13 | — | — | US | disclosed |