SCHEMBL29626882

SCHEMBL29626882

C=C(C)C(=O)OCCCOCC.C=C(C)C(=O)OCCOCCOCC

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.82
TSHR P16473 8/20 0.58
ALDH1A1 P00352 8/20 0.52
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 2/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL11358500 0.98 THRB (0.85) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2118746 0.98 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2117768 0.95 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15385988 0.95 THRB (0.85) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL234130 0.94 THRB (0.78) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20312879 0.93 THRB (0.76) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8850956 0.93 THRB (0.75) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8850646 0.93 THRB (0.75) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8850634 0.93 THRB (0.75) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL887753 0.93 THRB (0.96) THRBTSHRALDH1A1POLBAPEX1

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
CN-114423841-A Two-part adhesive compositions comprising organoborane amine complexes 波士胶公司 2022-04-29 CN disclosed