SCHEMBL18169552

SCHEMBL18169552

C=C(C)C(=O)OCC(O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 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
SCHEMBL8330126 0.98 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
Ammonia Solution, Strong SCHEMBL29556495 0.98 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL18279915 0.94 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19197808 0.86 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8965833 0.86 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL4257584 0.85 THRB (0.41) TSHRTHRBALDH1A1
SCHEMBL962842 0.84 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL3680400 0.84 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1371111 0.84 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL57880 0.83 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024021307-A1 PREPARATION METHOD FOR THERMALLY EXPANDABLE MICROSPHERES CONTAINING HYDROPHILIC ORGANIC MODIFIED COLLOIDAL SILICON DIOXIDE 万华化学集团股份有限公司 2024-02-01 WO claimed
CN-109476803-B Amine compositions useful for making polyurethane foams 赢创运营有限公司 2022-04-12 CN claimed
US-20160312076-A1 MULTILAYERED FILM AND METHOD FOR MANUFACTURING THE SAME ZEON CORPORATION (JP) 2016-10-27 US disclosed