⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2761339 | 1.00 | — | — | |
| SCHEMBL3406345 | 0.67 | — | — | |
| SCHEMBL10424707 | 0.67 | — | — | |
| SCHEMBL9700492 | 0.58 | EGLN1 (0.33) | — | |
| SCHEMBL23829520 | 0.58 | — | — | |
| SCHEMBL17359978 | 0.58 | SUCNR1 (0.33) | — | |
| SCHEMBL21518130 | 0.55 | POLB (0.44) | — | |
| SCHEMBL2484251 | 0.53 | — | — | |
| SCHEMBL20511493 | 0.53 | POLB (0.42) | — | |
| Bicarbonate SCHEMBL16767506 | 0.51 | CA1 (0.83) | — |
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 6 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 | claimed |
| US-20050137407-A1 | 3,4-dioxythiophene derivatives | H.C. STARCK GMBH (DE) | 2005-06-23 | — | — | US | claimed |
| 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 |
| US-20050137407-A1 | 3,4-dioxythiophene derivatives | H.C. STARCK GMBH (DE) | 2005-06-23 | — | — | US | disclosed |
| US-20050137407-A1 | 3,4-dioxythiophene derivatives | H.C. STARCK GMBH (DE) | 2005-06-23 | — | — | US | disclosed |