SCHEMBL864082

SCHEMBL864082

CCCC(C)[O-].CCCC(C)[O-].CCCC(C)[O-].CCCC(C)[O-].[Ti+4]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
OPRM1 P35372 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
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
Lithium Ion SCHEMBL5873348 0.93
Zinc Ion SCHEMBL27364527 0.93 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1OPRM1
SCHEMBL8209313 0.93 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1OPRM1
Potassium Ion SCHEMBL9570806 0.93
SCHEMBL10632023 0.93 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1OPRM1
SCHEMBL8596831 0.93
SCHEMBL13571101 0.93 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1OPRM1
SCHEMBL6301707 0.87 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1CHRM1
SCHEMBL5072491 0.80 DNM1 (0.41) TSHRCYP3A4OPRM1TDP1
SCHEMBL13570530 0.78 OPRM1 (0.50) TSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US claimed
US-9908100-B2 TiO2 material that is absorbent in the visible spectrum and method for producing same TOTAL SA (FR) 2018-03-06 US disclosed
US-20160339413-A1 TIO2 MATERIAL THAT IS ABSORBET IN THE VISIBLE SPECTRUM AND METHOD FOR PRODUCING SAME ECOLE NATIONALE SUPERIEURE DE CHIMIE DE MONTPELLIER (FR) 2016-11-24 US disclosed
US-20130112910-A1 PRECURSOR SOLUTION FOR PIEZOELECTRIC FILMS, METHOD FOR MANUFACTURING THE SAME, AND METHOD FOR MANUFACTURING PIEZOELECTRIC FILM SEIKO EPSON CORPORATION (JP) 2013-05-09 US disclosed
EP-2520692-A2 Precursor Solution for Piezoelectric Films, Method for Manufacturing the same, and Method for Manufacturing Piezoelectric Film Seiko Epson Corporation (JP) 2012-11-07 EP disclosed
US-20120076696-A1 Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus CHI-MEI CORPORATION 2012-03-29 US disclosed
US-20100137525-A1 Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer CHI-MEI CORPORATION 2010-06-03 US disclosed
US-20080262161-A1 Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus CHI-MEI CORPORATION 2008-10-23 US disclosed
US-20080171653-A1 Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer CHI-MEI CORPORATION 2008-07-17 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed