SCHEMBL2831622

SCHEMBL2831622

CCCCC(CC)CC(N)CC(CC)CCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 4/20 0.50
TSHR P16473 4/20 0.50
CA2 P00918 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL10824797 0.93 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL11663281 0.91 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL21629320 0.89 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL27960459 0.87 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHROPRM1
SCHEMBL11281795 0.87 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8349914 0.87 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28109171 0.87 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL11663396 0.87 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHROPRM1
SCHEMBL2955715 0.87 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHROPRM1
SCHEMBL13726932 0.85 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022424-A1 USE OF TRIAZOLES IN REDUCING COBALT LEACHING FROM COBALT-CONTAINING METAL WORKING TOOLS Wincom, Inc. (US) 2010-01-28 US claimed
US-8722592-B2 Use of triazoles in reducing cobalt leaching from cobalt-containing metal working tools Wincom, Inc. (US) 2014-05-13 US disclosed
EP-1451277-B1 AQUEOUS FUNCTIONAL FLUIDS WITH ANTIOXIDANTS CIBA HOLDING INC (CH) 2013-07-03 EP disclosed
US-8329625-B2 Aqueous functional fluids with antioxidants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2012-12-11 US disclosed
US-20100213410-A1 AQUEOUS FUNCTIONAL FLUIDS WITH ANTIOXIDANTS CIBA SPECIALTY CHEMICALS CORPORATION 2010-08-26 US disclosed
US-20100022424-A1 USE OF TRIAZOLES IN REDUCING COBALT LEACHING FROM COBALT-CONTAINING METAL WORKING TOOLS Wincom, Inc. (US) 2010-01-28 US disclosed
US-20090221740-A1 NOVEL COMPOSITIONS, METHODS, AND POLYMERS PLEXTRONICS, INC. 2009-09-03 US disclosed
EP-2081970-A1 METHACRYLATE COPOLYMER POURPOINT DEPRESSANTS Ciba Holding Inc. (CH) 2009-07-29 EP disclosed
WO-2008055797-A1 METHACRYLATE COPOLYMER POURPOINT DEPRESSANTS CIBA HOLDING INC. (CH) 2008-05-15 WO disclosed
US-20050020457-A1 Aqueous functional fluids with antioxidants CIBA SPECIALTY CHEMICALS CORP. 2005-01-27 US disclosed
EP-1451277-A1 AQUEOUS FUNCTIONAL FLUIDS WITH ANTIOXIDANTS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
WO-2003044140-A1 AQUEOUS FUNCTIONAL FLUIDS WITH ANTIOXIDANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO disclosed
EP-0292438-B1 Functional fluids FMC CORP UK LTD (GB) 1994-11-30 EP disclosed
EP-0259849-B1 PROCESS FOR THE PREPARATION OF C.I. VAT BLUE 16 BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4824608-A ALKYLATING 16,17-DIHYDROXYVIOLANTHRENE-5,10-DIONE IN TERTIARY ALIPHATIC OR CYCLOALIPHATIC AMINE AS SOLVENT BASF AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed
EP-0292438-A1 Functional fluids FMC CORPORATION (UK) LIMITED (GB) 1988-11-23 EP disclosed
EP-0259849-A2 Process for the preparation of C.I. vat blue 16 BASF Aktiengesellschaft (DE) 1988-03-16 EP disclosed