SCHEMBL585233

SCHEMBL585233

CC/C=C\CCOC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL585234 1.00
SCHEMBL8429889 1.00
SCHEMBL17762814 0.92 ALDH1A1 (0.45)
SCHEMBL25788452 0.90 PTGS1 (0.44)
Bicarbonate SCHEMBL28255193 0.88 ALDH1A1 (0.47)
Formic Acid SCHEMBL27581500 0.88 LPAR3 (0.44)
SCHEMBL11319609 0.87 LPAR3 (0.30)
SCHEMBL7773058 0.87 LPAR3 (0.30)
SCHEMBL8377823 0.83
SCHEMBL13868110 0.82

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4319586-A Uses of hexenol derivatives in augementing or enhancing the aroma or taste of smoking tobacco compositions and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-16 US claimed
US-4312766-A ENHANCING AROMA OF DRIER ADDED FABRIC SOFTENER ARTICLE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-01-26 US claimed
US-4267066-A Process for augmenting or enhancing the aroma of detergent using derivatives of cis-3-hexenol INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-12 US claimed
US-20260033524-A1 FLAVOR MODIFYING COMPOSITIONS CORN PRODUCTS DEV INC (US) 2026-02-05 US disclosed
EP-4561366-A1 FLAVOR MODIFYING COMPOSITION CORN Products Development Inc. (US) 2025-06-04 EP disclosed
CN-119894387-A Flavor modulating composition 玉米产品开发公司 2025-04-25 CN disclosed
US-20250081996-A1 FLAVOR MODIFYING COMPOSITION PURECIRCLE SDN BHD (MY) 2025-03-13 US disclosed
EP-4380375-A1 METHODS FOR THERMALLY INHIBITING STARCH CORN Products Development Inc. (US) 2024-06-12 EP disclosed
CN-117835831-A Flavor modulating composition 玉米产品开发公司 2024-04-05 CN disclosed
WO-2024026450-A1 FLAVOR MODIFYING COMPOSITION CORN PRODUCTS DEVELOPMENT, INC. (US) 2024-02-01 WO disclosed
WO-2023014926-A1 FLAVOR MODIFYING COMPOSITION CORN PRODUCTS DEVELOPMENT, INC. (US) 2023-02-09 WO disclosed
EP-0982295-A2 Ethers; their use as perfuming or flavouring agents; their preparation FIRMENICH SA (CH) 2000-03-01 EP disclosed
US-4335002-A FLAVORINGS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-06-15 US disclosed
US-4319586-A Uses of hexenol derivatives in augementing or enhancing the aroma or taste of smoking tobacco compositions and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-16 US disclosed
US-4319586-A Uses of hexenol derivatives in augementing or enhancing the aroma or taste of smoking tobacco compositions and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-16 US disclosed
US-4312766-A ENHANCING AROMA OF DRIER ADDED FABRIC SOFTENER ARTICLE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-01-26 US disclosed
US-4280933-A USING PYRIDINE CHLOROCHROMATE AS AN OXIDIZING AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-07-28 US disclosed
US-4267066-A Process for augmenting or enhancing the aroma of detergent using derivatives of cis-3-hexenol INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-12 US disclosed
US-4267066-A Process for augmenting or enhancing the aroma of detergent using derivatives of cis-3-hexenol INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-12 US disclosed
US-4241098-A Flavoring with a mixture of cis-3-hexenal, trans-2-hexenal, cis-3-hexenyl formate, cis-3-hexenol and cis-3-hexenyl-cis-3-hexenoate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-12-23 US disclosed