SCHEMBL5306207

SCHEMBL5306207

C=C(C)C=CC(CCC(C)=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL24092017 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19260226 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL322675 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24089836 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3505826 1.00 ALDH1A1 (0.32) ALDH1A1
Water SCHEMBL10988090 0.98 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11874374 0.87 GABRP (0.39)
SCHEMBL11874377 0.87 GABRP (0.39)
SCHEMBL11438241 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL29645002 0.85 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US claimed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
US-4207905-A Isobutyl substituted heterocyclic compounds for augmenting or enhancing the organoleptic properties of smoking tobaccos and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-17 US claimed
US-4170236-A TRIISOBUTYL TRIOXANE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-10-09 US claimed
US-4135520-A CIGARETTES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-01-23 US claimed
CN-118703262-A Litsea coreana spice, preparation method and application 郑州轻工业大学 2024-09-27 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
EP-3624596-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD International Flavors & Fragrances Inc. (US) 2020-03-25 EP disclosed
US-20200068928-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-03-05 US disclosed
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US disclosed
WO-2018213154-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-11-22 WO disclosed
EP-0941671-B1 Taste agent from Saccharum Officinarum, process for preparing it, products containing it INT FLAVORS & FRAGRANCES INC (US) 2015-09-09 EP disclosed
US-4076853-A Flavoring with substituted norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US disclosed
US-4010286-A Flavoring with 4-methyl-1-oxaspiro[5.5]undecane INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-03-01 US disclosed
US-3992457-A 6-METHYL-3-ISOPROPYL-HEPTA-4,6-DIEN-1-OL FIRMENICH S.A. (CH) 1976-11-16 US disclosed
US-3992458-A SOLANONE DERIVATIVES FIRMENICH S.A. (CH) 1976-11-16 US disclosed
US-3946080-A 5-ISOPROPYLNONANE-2,8-DIONE FIRMENICH SA (CH) 1976-03-23 US disclosed
US-3946050-A EPOXY NONANONES FIRMENICH SA (CH) 1976-03-23 US disclosed
US-3936424-A 8-HYDROXY-5-ISOPROPYL-NON-6-EN-2-ONE, 8-HYDROXY-5-ISOPROPYL-NONAN-2-ONE, OR 8-HYDROXY-5-ISOPROPYL-8-METHYL-NON-6-EN-2-ONE FIRMENICH SA (CH) 1976-02-03 US disclosed