⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14587297 | 0.95 | — | — | |
| SCHEMBL14587300 | 0.93 | — | — | |
| SCHEMBL10025602 | 0.72 | STS (0.34) | — | |
| SCHEMBL10025600 | 0.72 | CHRNB4 (0.33) | — | |
| SCHEMBL4867037 | 0.65 | — | — | |
| SCHEMBL4853891 | 0.63 | PRKCA (0.30) | — | |
| SCHEMBL16372586 | 0.63 | CHRNB4 (0.51) | — | |
| SCHEMBL5730755 | 0.63 | — | — | |
| SCHEMBL14587298 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL25140693 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183419-B2 | Reacting a 2,5-di(alkoxycarbonyl)-3,4-dihydroxythiophene or the alkali metal salt thereof with a ditosylate and cleaving the ester and decarboxylating the intermediate thus formed; used as monomers for pi-conjugated polymers | H.C. STARCK GMBH & CO. KG (DE) | 2007-02-27 | — | — | US | disclosed |
| US-7183419-B2 | Reacting a 2,5-di(alkoxycarbonyl)-3,4-dihydroxythiophene or the alkali metal salt thereof with a ditosylate and cleaving the ester and decarboxylating the intermediate thus formed; used as monomers for pi-conjugated polymers | H.C. STARCK GMBH & CO. KG (DE) | 2007-02-27 | — | — | US | disclosed |