SCHEMBL28066751

SCHEMBL28066751

C=C(C)C(=O)OCCCC(CC)OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.42
SMPD1 P17405 3/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL2037753 0.85 TSHR (0.43) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL541861 0.85 TSHR (0.42) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL3654903 0.84 TSHR (0.42) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL2038042 0.84 TSHR (0.42) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL541465 0.83 TSHR (0.41) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL541476 0.83 TSHR (0.41) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL3651717 0.83 TSHR (0.48) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL2035724 0.83 TSHR (0.48) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL3652859 0.83 TSHR (0.51) TSHRTHRBSMPD1POLBAPEX1
SCHEMBL2039814 0.83 TSHR (0.44) TSHRTHRBSMPD1POLBAPEX1

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-105601826-A Method for preparing viscosity reduction type water reduction agent JIANGSU SUBOTE NEW MAT CO LTD 2016-05-25 CN claimed