SCHEMBL14495474

SCHEMBL14495474

C=C(C)C(=O)OCCCO[PH](=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.47
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL21402157 0.96 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Butane SCHEMBL2302829 0.95 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27462339 0.95 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31091786 0.95 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17407186 0.89 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2721270 0.89 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20956850 0.87 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
Ethylene SCHEMBL28738416 0.87 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9475470 0.87 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14414958 0.86 THRB (0.54) 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-111465383-A Oral care compositions comprising polymers containing phosphonate groups and anionic groups 宝洁公司 2020-07-28 CN disclosed
WO-2007064527-A1 IMAGEABLE MEMBERS WITH IMPROVED CHEMICAL RESISTANCE EASTMAN KODAK COMPANY (US) 2007-06-07 WO disclosed