SCHEMBL7603963

SCHEMBL7603963

C=C(C(C)CC)C(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36

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
SCHEMBL18935094 0.73
SCHEMBL26790507 0.69
SCHEMBL18594673 0.69 TSHR (0.33) TSHR
SCHEMBL112430 0.67
SCHEMBL28655159 0.67
SCHEMBL25976711 0.65 CYP3A4 (0.35) TSHR
SCHEMBL23581551 0.65
SCHEMBL1066815 0.64
SCHEMBL12096028 0.64
SCHEMBL249125 0.64

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408383-A1 ESTERS OF 5-METHYLHEX-2-ENOL AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2024-08-07 EP disclosed
EP-4384591-A1 USE OF SUBSTITUTED CYCLOPENTENONES AND CYCLOPENTANONES AS AROMA INGREDIENTS BASF SE (DE) 2024-06-19 EP disclosed
EP-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 EP disclosed
EP-4225727-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2023-08-16 EP disclosed
EP-4189141-A1 CYCLIC COMPOUNDS AS AROMA CHEMICALS BASF SE (DE) 2023-06-07 EP disclosed
WO-2023052353-A1 ESTERS OF 5-METHYLHEX-2-ENOL AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2023-04-06 WO disclosed
WO-2023017086-A1 USE OF SUBSTITUTED CYCLOPENTENONES AND CYCLOPENTANONES AS AROMA INGREDIENTS BASF SE (DE) 2023-02-16 WO disclosed
WO-2022073845-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2022-04-14 WO disclosed
US-20020192174-A1 Perfume mixtures with increased odor intensity SYMRISE GMBH & CO. KG (DE) 2002-12-19 US disclosed