SCHEMBL11344293

SCHEMBL11344293

C=C(C)C(=O)OCCCCCC(O)CCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
ACHE P22303 6/20 0.37
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
FFAR1 O14842 1/20 0.34
PSMD14 O00487 1/20 0.34
PLA2G1B P04054 1/20 0.34

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
SCHEMBL1759348 0.90 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139779 0.89 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139085 0.89 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18140763 0.89 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18139561 0.89 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL8740541 0.88 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL341500 0.88 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL37007 0.88 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL18725299 0.88 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3504159 0.88 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255196-A A CURABLE DILUENT DESCRIBED AS THE MIXED ESTERS OF A POLYOL WITH MIXED NATURAL DRYING OIL FATTY ACIDS AND AN UNSATURATED ACYCLIC ACID ROHM AND HAAS COMPANY (US) 1981-03-10 US disclosed
US-4253397-A COMPRISING A CURABLE LIQUID REACTIVE DILUENT WHICH IS A POLYUNSATURATED ESTER ROHM AND HAAS COMPANY (US) 1981-03-03 US disclosed
EP-0015147-A1 Lithographic ink containing oxidatively curable reactive diluent and use thereof ROHM AND HAAS COMPANY (US) 1980-09-03 EP disclosed