SCHEMBL6911397

SCHEMBL6911397

C=CC(=O)OC(C)COC(C)COC(C)COC(C)COCCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
PLA2G2C Q5R387 2/20 0.36
THRB P10828 3/20 0.35
ATM Q13315 1/20 0.35
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL11240702 1.00 TSHR (0.47) TSHRHPGDTDP1PLA2G2CTHRB
SCHEMBL11251293 1.00 TSHR (0.47) TSHRHPGDTDP1PLA2G2CTHRB
SCHEMBL11759841 0.96 TSHR (0.42) TSHRHPGDTDP1PLA2G2CLPAR1
SCHEMBL6423789 0.94 TSHR (0.53) TSHRHPGDTDP1PLA2G2CTHRB
SCHEMBL11241729 0.91 TDP1 (0.53) TSHRHPGDTDP1PLA2G2CTHRB
SCHEMBL11250054 0.91 TDP1 (0.53) TSHRHPGDTDP1PLA2G2CTHRB
SCHEMBL6909205 0.91 TDP1 (0.53) TSHRHPGDTDP1PLA2G2CTHRB
SCHEMBL1233877 0.87 TSHR (0.46) TSHRHPGDTDP1THRBATM
SCHEMBL4904681 0.86 TSHR (0.46) TSHRHPGDTDP1THRBALDH1A1
SCHEMBL8850981 0.84 TSHR (0.42) TSHRHPGDTDP1THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735076-B1 Process for the production of star-like or comb-like branched aliphatic polyamino compound and curable resin composition TOYO INK MFG CO (JP) 2004-01-02 EP disclosed
US-5705602-A Process for the production of star-like or comb-like branched aliphatic polyamino compound and curable resin composition TOYO INK MANUFACTURING CO., LTD. (JP) 1998-01-06 US disclosed
EP-0735076-A1 Process for the production of star-like or comb-like branched aliphatic polyamino compound and curable resin composition TOYO INK MANUFACTURING CO., LTD. (JP) 1996-10-02 EP disclosed
US-4310397-A SUSTAINED RELEASE; PREPARED BY IRRADIATION POLYMERIZATION JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1982-01-12 US disclosed