SCHEMBL28748147

SCHEMBL28748147

C=C(C)C(=O)OCCCC(C)CS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.41
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL29084422 0.90 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27797476 0.80 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18265606 0.80 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8540465 0.80 TSHR (0.58) TSHRTHRBALDH1A1
Ammonia Solution, Strong SCHEMBL27656705 0.80 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11531013 0.79 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27509922 0.79 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27892227 0.79 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28788190 0.78 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL383961 0.78 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1441666-A Macromolecular drug complexes and compositions containing same TRUSTESS OF THE UNIVERSITY OF (US) 2003-09-10 CN claimed
CN-1441666-A Macromolecular drug complexes and compositions containing same TRUSTESS OF THE UNIVERSITY OF (US) 2003-09-10 CN disclosed