SCHEMBL28299972

SCHEMBL28299972

C=C(C)C(=O)OCCCC1COC(C=O)OC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28301347 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
SCHEMBL970598 0.77 ALDH1A1 (0.64) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL19906406 0.77 TSHR (0.55) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL23494112 0.74 TSHR (0.51) ALDH1A1TSHRTHRB
SCHEMBL7647414 0.74 ALDH1A1 (0.54) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL453091 0.74 ALDH1A1 (0.59) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL3671748 0.73 SMN1; SMN2 (0.51) TSHRTHRB
SCHEMBL19789498 0.73 TSHR (0.50) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL3477916 0.73 TSHR (0.50) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL10073435 0.73 TSHR (0.50) ALDH1A1TSHRTHRBPOLBAPEX1

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-109912790-A A kind of modified polycarbonate with highly blood coagulation resistant 西南交通大学 2019-06-21 CN claimed
CN-109912790-A A kind of modified polycarbonate with highly blood coagulation resistant 西南交通大学 2019-06-21 CN disclosed