⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10303794 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL10007577 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL10007250 | 0.73 | — | — | |
| SCHEMBL10007248 | 0.73 | — | — | |
| SCHEMBL13012448 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL20404159 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL10006775 | 0.61 | CHRM2 (0.33) | — | |
| SCHEMBL20404154 | 0.58 | CES2 (0.34) | — | |
| SCHEMBL176974 | 0.54 | MAPK1 (0.53) | — | |
| SCHEMBL14192193 | 0.53 | CHRM2 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069123-B1 | PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES | SHIONOGI & CO (JP) | 2004-11-10 | — | — | EP | disclosed |
| US-20020161242-A1 | Process for preparing benzothiophenecarboxamide derivatives | HONMA TSUNETOSHI (JP) | 2002-10-31 | — | — | US | disclosed |
| US-20020156297-A1 | Process for preparing benzothiophenecarboxamide derivatives | OKADA TETSUO (JP) | 2002-10-24 | — | — | US | disclosed |
| US-6465662-B1 | OXIDIZING 2-HYDROXYETHYL-10 NORPINAN-3-YL)-2-AMINE AMIDES OF OXY-SUBSTITUTED BENZOTHIOPHENECARBOXYLIC ACIDS TO FORM ALDEHYDES IN THE PRESENCE OF 2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYLS. | SHIONOGI & CO., LTD. (JP) | 2002-10-15 | — | — | US | disclosed |
| US-6462241-B2 | REACTING AN AMINO ALCOHOL WITH A BENZOTHIOPHENE, REACTING THE PRODUCT WITH A HALO OXACID IN THE PRESENCE OF 2,2,6,6-TETRA METHYLPIPERIDINE-1-OXYLS, FURTHER REACTING WITH AN YLIDE UNDER WITTIG REACTION CONDITIONS AND DEPROTECTING | SHIONOGI & CO., LTD. (JP) | 2002-10-08 | — | — | US | disclosed |
| US-20020115871-A1 | Process for preparing benzothiophenecarboxamide derivatives | OKADA TETSUO (JP) | 2002-08-22 | — | — | US | disclosed |
| US-6399788-B1 | AMIDATION | SHIONOGI & CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |
| EP-1069123-A1 | PROCESS FOR PRODUCING BENZOTHIOPHENECARBOXYLIC ACID AMIDE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2001-01-17 | — | — | EP | disclosed |