⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618357 | 0.75 | — | — | |
| SCHEMBL826097 | 0.64 | — | — | |
| SCHEMBL257415 | 0.57 | — | — | |
| SCHEMBL14327682 | 0.55 | TRPA1 (0.31) | — | |
| SCHEMBL21829068 | 0.55 | — | — | |
| SCHEMBL262241 | 0.54 | — | — | |
| SCHEMBL7192234 | 0.53 | — | — | |
| SCHEMBL14176065 | 0.53 | — | — | |
| SCHEMBL7214362 | 0.53 | — | — | |
| SCHEMBL20542554 | 0.51 | HDAC4 (0.34) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0234688-A1 | Thiophene-3-carboxaldehyde derivatives, their preparation and their use in preparing 3-thienyl acetonitrile | BEECHAM GROUP PLC (GB) | 1987-09-02 | — | — | EP | claimed |
| CN-110878080-A | Preparation method of 3-thiophenecarboxaldehyde | 南京杰运医药科技有限公司 | 2020-03-13 | — | — | CN | disclosed |
| CN-107935984-B | A kind of preparation method of 3- thiophenecarboxaldehyde | 济南尚博生物科技有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-107935984-A | A kind of preparation method of 3 thiophenecarboxaldehyde | 济南尚博生物科技有限公司 | 2018-04-20 | — | — | CN | disclosed |
| US-8372875-B2 | Indole carboxamides as IKK2 inhibitors | GlaxoSmithKline, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| US-8372875-B2 | Indole carboxamides as IKK2 inhibitors | GlaxoSmithKline, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| US-8372875-B2 | Indole carboxamides as IKK2 inhibitors | GlaxoSmithKline, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| US-20120040958-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2012-02-16 | — | — | US | disclosed |
| US-20120040958-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2012-02-16 | — | — | US | disclosed |
| US-20120040958-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2012-02-16 | — | — | US | disclosed |
| EP-2139322-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | Smithkline Beecham Corporation (US) | 2010-01-06 | — | — | EP | disclosed |
| US-20090137822-A1 | Process for preparing 3-substituted thiophene | UBE INDUSTRIES, LTD. (JP) | 2009-05-28 | — | — | US | disclosed |
| WO-2008118724-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-02 | — | — | WO | disclosed |
| WO-2008118724-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-02 | — | — | WO | disclosed |
| CN-101175746-A | Process for producing 3-substituted thiophene | UBE INDUSTRIES (JP) | 2008-05-07 | — | — | CN | disclosed |
| JP-2001199979-A | METHOD FOR PRODUCING THIOPHENE-3-CARBOXALDEHYDE | UBE IND LTD | 2001-07-24 | — | — | JP | disclosed |
| US-5126335-A | PENICILLINS CONTAINING AN ACRYLAMIDE SIDE CHAIN | BEECHAM GROUP P.L.C. (GB) | 1992-06-30 | — | — | US | disclosed |
| EP-0389178-A2 | Acrylamido-penicillanic-acid derivatives | BEECHAM GROUP PLC (GB) | 1990-09-26 | — | — | EP | disclosed |
| EP-0234688-A1 | Thiophene-3-carboxaldehyde derivatives, their preparation and their use in preparing 3-thienyl acetonitrile | BEECHAM GROUP PLC (GB) | 1987-09-02 | — | — | EP | disclosed |
| EP-0234688-A1 | Thiophene-3-carboxaldehyde derivatives, their preparation and their use in preparing 3-thienyl acetonitrile | BEECHAM GROUP PLC (GB) | 1987-09-02 | — | — | EP | disclosed |