SCHEMBL901254

SCHEMBL901254

CC(=O)OCCC(C)C.CC(=O)OCCC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 5/20 0.48
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
TBXA2R P21731 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27086 1.00
SCHEMBL27515083 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
SCHEMBL28563022 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
SCHEMBL31411095 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Acetone SCHEMBL7637226 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Methane SCHEMBL766234 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
SCHEMBL28341214 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Methyl Alcohol SCHEMBL6663691 0.97 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Butanedione SCHEMBL2218929 0.95 ALOX15 (0.50) ALOX15CA12CA1CA2CA9
Isopropyl Alcohol SCHEMBL10340482 0.95 ALOX15 (0.50) ALOX15CA12CA1CA2CA9

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
WO-2024108201-A2 CANNABIGEROLIC ACID (CBGA) AND CANNABIGEROL (CBG) DERIVED PRODUCTS AND METHODS OF USE Bazelet Health Systems, Inc. (US) 2024-05-23 WO disclosed
US-20240082270-A1 CANNABIGEROL (CBG) PRODUCTS AND METHODS OF USE BAZELET HEALTH SYSTEMS INC (US) 2024-03-14 US disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
EP-2788496-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND Meon Medical Solutions GmbH & Co. KG (AT) 2014-10-15 EP disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2013083518-A1 METHOD OF DIAGNOSING PNEUMONIA BY DETECTING A VOLATILE ORGANIC COMPOUND MEON MEDICAL SOLUTIONS GMBH & COKG (AT) 2013-06-13 WO disclosed
WO-2013076148-A2 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY VIA POLYHYDROXY QUATERNARY AMMONIUM SALTS UNILEVER PLC (GB) 2013-05-30 WO disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed