SCHEMBL7625934

SCHEMBL7625934

C=C(C)C(=O)OCCC(C)(O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.47
TET2 Q6N021 1/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL26979799 0.85 THRB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL18492454 0.85 THRB (0.48) THRBTSHRTET2POLBAPEX1
SCHEMBL3688925 0.84 THRB (0.52) THRBTSHRPOLBAPEX1HTT
SCHEMBL18051644 0.84 THRB (0.52) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18492403 0.83 THRB (0.47) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL19133680 0.83 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL4952891 0.82 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL11330737 0.82 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL8965485 0.82 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL438464 0.82 THRB (0.53) THRBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214361-A1 TEMPERATURE SENSITIVE POLYMERS STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2002-06-19 EP claimed
WO-2001009198-A1 TEMPERATURE SENSITIVE POLYMERS STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2001-02-08 WO claimed
EP-1072617-A1 Temperature sensitive polymers Universiteit van Utrecht (NL) 2001-01-31 EP claimed
EP-1214361-A1 TEMPERATURE SENSITIVE POLYMERS STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2002-06-19 EP disclosed
WO-2001009198-A1 TEMPERATURE SENSITIVE POLYMERS STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2001-02-08 WO disclosed
EP-1072617-A1 Temperature sensitive polymers Universiteit van Utrecht (NL) 2001-01-31 EP disclosed