⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6949892 | 1.00 | — | — | |
| SCHEMBL27536826 | 0.75 | — | — | |
| SCHEMBL8677272 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL2716472 | 0.74 | — | — | |
| SCHEMBL4767183 | 0.74 | — | — | |
| SCHEMBL751024 | 0.74 | — | — | |
| SCHEMBL23529565 | 0.72 | — | — | |
| SCHEMBL9717742 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL11752475 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL295231 | 0.71 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2799420-B1 | METHOD FOR SYNTHESIZING 2,7-DIMETHYL-2,4,6-OCTATRIENE-1,8-DIALDEHYDE | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2016-11-16 | — | — | EP | claimed |
| US-9187394-B2 | Method for synthesizing 2,7-dimethyl-2,4,6-octatriene-1,8-dialdehyde | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2015-11-17 | — | — | US | claimed |
| EP-2799420-B1 | METHOD FOR SYNTHESIZING 2,7-DIMETHYL-2,4,6-OCTATRIENE-1,8-DIALDEHYDE | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2016-11-16 | — | — | EP | disclosed |
| EP-0931790-B1 | Method for producing 2-sulfonylpyridine derivates and method for producing 2-( (2-pyridyl)methyl)thio)-1H-benzimidazole derivates | KURARAY CO (JP) | 2003-05-14 | — | — | EP | disclosed |
| EP-1004565-B1 | Preparation of 1-alkoxy-2-methyl-1,3-butadienes | HOFFMANN LA ROCHE (CH) | 2002-10-23 | — | — | EP | disclosed |
| EP-0919547-B1 | Preparation of polyenaldehydes | HOFFMANN LA ROCHE (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6350876-B2 | REACTING SULFONYL CYANIDE DERIVATIVE WITH ALPHA,BETA-UNSAT-URATED CARBONYL COMPOUND; ORGANOLITHIUM COMPOUND; STARTING MATERIAL/INTERMEDIATE FOR DRUG SYNTHESIS (ANTI-PARKINSON'S DRUG LAZABEMIDE) AND AGRICULTURAL CHEMICALS (PESTICIDES) | KURARAY CO., LTD. (JP) | 2002-02-26 | — | — | US | disclosed |
| US-20010051726-A1 | Method for producing 2-sulfonylpyridine derivatives and method for producing 2- { [ (2-pyridyl) methyl] thio} -1H-benzimidazole derivatives | KURARAY CO., LTD. (JP) | 2001-12-13 | — | — | US | disclosed |
| EP-0825168-B1 | Preparation of gamma-halotiglinaldehydes | HOFFMANN LA ROCHE (CH) | 2001-11-21 | — | — | EP | disclosed |
| EP-0816334-B1 | Preparation of polyenic (di)aldehydes | HOFFMANN LA ROCHE (CH) | 2001-08-29 | — | — | EP | disclosed |
| US-6197962-B1 | REACTING A,B-UNSATURATED CARBONYL COMPOUND WITH A SULFONYL CYANIDE; CYCLIZATION | KURARAY CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| US-6018075-A | BY REACTING GAMMA-BROMOTIGLIC ALDEHYDE OR GAMMA-CHLOROTIGLIC ALDEHYDE WITH SODIUM OR POTASSIUM ACETATE IN THE PRESENCE OF A PHASE TRANSFER CATALYST AND ORGANIC SOLVENT | ROCHE VITAMINS INC. (US) | 2000-01-25 | — | — | US | disclosed |
| US-5990360-A | DEETHERIFICATION IN PRESENCE OF AN ALUMINIUM SILICATE CATALYST | ROCHE VITAMINS INC. (US) | 1999-11-23 | — | — | US | disclosed |
| EP-0931790-A2 | Method for producing 2-sulfonylpyridine derivates and method for producing 2-( (2-pyridyl)methyl)thio)-1H-benzimidazole derivates | KURARAY CO., LTD. (JP) | 1999-07-28 | — | — | EP | disclosed |
| US-5929288-A | A POLYENE O,O-DIALKYL ACETAL OR POLYENE DI(O,O-DIALKYL ACETAL) IS REACTED WITH A 1-ALKOXY-1,3-DIENE IN THE PRESENCE OF A LEWIS ACID OR A BRONSTED ACID. THE REACTION MIXTURE IS THEN HYDROLYZED AND THE ALCOHOL IS CLEAVED UNDER BASIC CONDITIONS. | ROCHE VITAMINS INC. (US) | 1999-07-27 | — | — | US | disclosed |
| EP-0919547-A1 | Preparation of polyenaldehydes | F. HOFFMANN-LA ROCHE AG (CH) | 1999-06-02 | — | — | EP | disclosed |
| US-5786518-A | HALOHYDROXYLATION OF ALKOXY-2-METHYL-1,3-BUTADIENE WITH ALKANOL AND HALOGEN THEN HYDROLYSIS | ROCHE VITAMINS INC. (US) | 1998-07-28 | — | — | US | disclosed |
| EP-0825168-A2 | Preparation of gamma-halotiglinaldehydes | F. HOFFMANN-LA ROCHE AG (CH) | 1998-02-25 | — | — | EP | disclosed |
| EP-0816334-A1 | Preparation of polyenic (di)aldehydes | F. HOFFMANN-LA ROCHE AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| US-4105697-A | Process for the preparation of α, β-ethylenic aldehydes | RHONE-POULENC INDUSTRIES (FR) | 1978-08-08 | — | — | US | disclosed |