SCHEMBL8435862

SCHEMBL8435862

C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.CC(CCCCOC(N)=O)C(C)(C)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL8434847 0.87 THRB (0.41) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8437710 0.87 THRB (0.41) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29738222 0.82 CHRNB2 (0.42) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
Urethane SCHEMBL9356096 0.81 TSHR (0.44) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3272797 0.80 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4640880 0.80 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL30827212 0.79 TSHR (0.41) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1898441 0.78 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL14343519 0.77 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3503120 0.76 TSHR (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001896-A (A) TETRAHYDROFURFURYL METHACRYLATE; (B) ONE OR MORE MULTI-FUNCTIONAL METHACRYLATES, CONTAINING AT LEAST TWO METHACRYLOYL GROUPS; AND (C) A PHOTOPOLYMERIZATION INITIATOR IN SPECIFIC PARTS BY WEIGHT; ADHESIVE STRENGTH, AESTHETICS GC CORPORATION (JP) 1999-12-14 US disclosed