⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4867747 | 0.78 | — | — | |
| SCHEMBL5238525 | 0.74 | TPMT (0.35) | — | |
| SCHEMBL10431375 | 0.71 | MAOB (0.48) | — | |
| SCHEMBL5235288 | 0.69 | KDM4E (0.36) | — | |
| Water SCHEMBL6206189 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL9160350 | 0.65 | DAO (0.32) | — | |
| SCHEMBL11039343 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL3671086 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL5697079 | 0.61 | CA1 (0.31) | — | |
| SCHEMBL16242191 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1362859-B1 | Process for preparing a 2-hydroxymethyl-2, 3- dihydro-thieno(3, 4-b) (1, 4) dioxine-5, 7-dicarboxylic acid diester | AGFA GEVAERT NV (BE) | 2005-07-13 | — | — | EP | claimed |
| EP-1167368-B1 | Process for the preparation of 3,4-alkylenedioxythiophene-2,5-dicarboxylic acid derivatives | BAYER AG (DE) | 2003-11-05 | — | — | EP | claimed |
| EP-1167368-A1 | Process for the preparation of 3,4-alkylenedioxythiophene-2,5-dicarboxylic acid derivatives | Bayer Aktiengesellschaft (DE) | 2002-01-02 | — | — | EP | claimed |
| EP-1810986-B1 | Polythiophene formulations for improving organic LEDs | HERAEUS PRECIOUS METALS GMBH (DE) | 2012-06-27 | — | — | EP | disclosed |
| EP-1564251-B1 | Polythiophene compositions for improving organic light-emitting diodes | STARCK H C GMBH (DE) | 2008-06-11 | — | — | EP | disclosed |
| EP-1810986-A2 | Polythiophene formulations for improving organic LEDs | H.C. Starck GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| EP-1564251-A1 | Polythiophene compositions for improving organic light-emitting diodes | H.C. Starck GmbH (DE) | 2005-08-17 | — | — | EP | disclosed |
| EP-1298133-B1 | Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters | BAYER CHEMICALS AG (DE) | 2005-01-19 | — | — | EP | disclosed |
| EP-1167368-B1 | Process for the preparation of 3,4-alkylenedioxythiophene-2,5-dicarboxylic acid derivatives | BAYER AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| EP-1298133-A1 | Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters | BAYER AG (DE) | 2003-04-02 | — | — | EP | disclosed |
| EP-1167368-A1 | Process for the preparation of 3,4-alkylenedioxythiophene-2,5-dicarboxylic acid derivatives | Bayer Aktiengesellschaft (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-0339340-B1 | Process for the preparation of Polythiophenes | BAYER AG (DE) | 1999-12-29 | — | — | EP | disclosed |
| EP-0340512-B1 | Solid electrolyte and electrolytic capacitor using the same | BAYER AG (DE) | 1993-10-20 | — | — | EP | disclosed |