SCHEMBL6989298

SCHEMBL6989298

CCCO[C](C)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.34
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6179801 0.78 ALDH1A1 (0.39) TSHRHSD17B10LMNAHCAR2ALDH1A1
Acetic Acid Propyl Ester SCHEMBL638351 0.75 TSHR (0.61) TSHRHSD17B10LMNAHCAR2ALDH1A1
SCHEMBL577735 0.73 LMNA (0.42) TSHRHSD17B10LMNAHCAR2ALDH1A1
SCHEMBL8757277 0.72 TSHR (0.39) TSHRLMNAHCAR2ALDH1A1TDP1
Acetic Acid Propyl Ester SCHEMBL10418679 0.72 ALDH1A1 (0.48) TSHRHSD17B10LMNAHCAR2ALDH1A1
SCHEMBL6986502 0.72 TSHR (0.39) TSHRLMNAHCAR2ALDH1A1TDP1
SCHEMBL1980527 0.71 LMNA (0.41) TSHRHSD17B10LMNAHCAR2ALDH1A1
SCHEMBL9316191 0.71 LMNA (0.36) HSD17B10LMNA
SCHEMBL4443775 0.71 TSHR (0.53) TSHRHCAR2
SCHEMBL5956552 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358164-A1 METHOD OF PRODUCING 1-ALKYL-3-ARYL-5-DIFLUOROMETHOXY-1H-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
EP-1341776-A1 BENZAZOLONYLCARBONYL CYCLOHEXENONES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-09-10 EP disclosed
WO-2002055504-A1 METHOD OF PRODUCING 1-ALKYL-3-ARYL-5-DIFLUOROMETHOXY-1H-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-07-18 WO disclosed
WO-2002048121-A1 BENZAZOLONYLCARBONYL CYCLOHEXENONES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
WO-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed
EP-1177179-A1 BENZOHETERO CYCLYLCYCLO HEXENONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
EP-1165515-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2001000584-A2 PYRAZOLYL DERIVATIVES OF BICYCLIC BENZOIC ACIDS FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000607-A1 CYCLOHEXENONE DERIVATIVES OF BICYCLIC BENZOIC ACIDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000058288-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
EP-1027387-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-08-16 EP disclosed
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
EP-1000123-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
WO-1999023169-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-14 WO disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
WO-1999005222-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed
US-3941804-A 1-Heteroarylsulphonyl-2-imino-imidazolidines CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed