⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL510866 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL8481183 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL510865 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL27284840 | 0.72 | — | — | |
| SCHEMBL6685451 | 0.69 | — | — | |
| SCHEMBL8005721 | 0.69 | — | — | |
| SCHEMBL18998305 | 0.69 | — | — | |
| SCHEMBL13790538 | 0.69 | — | — | |
| SCHEMBL6685454 | 0.69 | — | — | |
| SCHEMBL9639663 | 0.69 | THRB (0.39) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448517-A1 | METHOD OF PREPARING 4-CHLORO-3-METHYL-2-BUTENYLPHENYL SULFIDE, DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFIDE AND DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFONE FOR SYNTHESIS OF NATURAL CAROTENOID PRODUCTS | SK Corporation (KR) | 2004-08-25 | — | — | EP | claimed |
| WO-2003037854-A1 | METHOD OF PREPARING 4-CHLORO-3-METHYL-2-BUTENYLPHENYL SULFIDE, DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFIDE AND DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFONE FOR SYNTHESIS OF NATURAL CAROTENOID PRODUCTS | SK CORPORATION (KR) | 2003-05-08 | — | — | WO | claimed |
| EP-0008581-A1 | METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL | BABLER, James, H. (US) | 1980-03-05 | — | — | EP | claimed |
| WO-1979000485-A1 | METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL | BABLER J | 1979-07-26 | — | — | WO | claimed |
| CN-112321421-A | Preparation method of 1-acetoxyl-4-chloro-3-methyl-2-butene | 宿迁科思化学有限公司 | 2021-02-05 | — | — | CN | disclosed |
| EP-1448517-A4 | METHOD OF PREPARING 4-CHLORO-3-METHYL-2-BUTENYLPHENYL SULFIDE, DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFIDE AND DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFONE FOR SYNTHESIS OF NATURAL CAROTENOID PRODUCTS | SK CORP (KR) | 2006-03-15 | — | — | EP | disclosed |
| EP-1448517-A1 | METHOD OF PREPARING 4-CHLORO-3-METHYL-2-BUTENYLPHENYL SULFIDE, DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFIDE AND DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFONE FOR SYNTHESIS OF NATURAL CAROTENOID PRODUCTS | SK Corporation (KR) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003037854-A1 | METHOD OF PREPARING 4-CHLORO-3-METHYL-2-BUTENYLPHENYL SULFIDE, DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFIDE AND DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFONE FOR SYNTHESIS OF NATURAL CAROTENOID PRODUCTS | SK CORPORATION (KR) | 2003-05-08 | — | — | WO | disclosed |
| US-5488066-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1996-01-30 | — | — | US | disclosed |
| EP-0008581-A1 | METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL | BABLER, James, H. (US) | 1980-03-05 | — | — | EP | disclosed |
| WO-1979000485-A1 | METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL | BABLER J | 1979-07-26 | — | — | WO | disclosed |
| US-4018782-A | 1-OXAPENICILLINS, ANTIBIOTICS | QUEEN'S UNIVERSITY (CA) | 1977-04-19 | — | — | US | disclosed |
| US-3985764-A | REACTING CHLORINATED ESTERS OF ANHYDROBENZYLPENICILLIN WITH ALUMINA OR SILICA GEL | QUEEN'S UNIVERSITY (CA) | 1976-10-12 | — | — | US | disclosed |
| US-3950352-A | ANTIBIOTICS, OXAPENICILLINS | QUEEN'S UNIVERSITY (CA) | 1976-04-13 | — | — | US | disclosed |
| US-3948927-A | ANTIBIOTIC INTERMEDIATE | QUEEN'S UNIVERSITY (CA) | 1976-04-06 | — | — | US | disclosed |