SCHEMBL28112100

SCHEMBL28112100

C=C(O)C(=O)OCCCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
CAMK2A Q9UQM7 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ACHE P22303 6/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HPGD P15428 1/20 0.30

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
SCHEMBL8395128 0.93 TSHR (0.44) TSHRCAMK2ATDP1POLBAPEX1
Methacrylic Acid SCHEMBL27848698 0.90 TSHR (0.47) TSHRTDP1POLBAPEX1HTT
SCHEMBL2516798 0.85
Acrylic Acid SCHEMBL28886910 0.84 TSHR (0.44) TSHRTDP1POLBAPEX1HTT
SCHEMBL1538414 0.82 TSHR (0.38) TSHRCAMK2AALDH1A1CYP3A4ACHE
SCHEMBL10952662 0.80 CAMK2A (0.38) TSHRCAMK2ATDP1ALDH1A1CYP3A4
SCHEMBL9717637 0.79 TSHR (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL198128 0.79 TSHR (0.59) TSHRTDP1POLBAPEX1HTT
SCHEMBL3503337 0.79 TSHR (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL1374276 0.79 TSHR (0.39) TSHRTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249872-A Fluorine-containing acrylic acid modified polyurethane wear-resistant resin and preparation method thereof 中昊北方涂料工业研究设计院有限公司 2022-03-29 CN disclosed
CN-109415643-A Lubriation material and SRT material 国立大学法人京都大学 2019-03-01 CN disclosed
CN-109135665-A A kind of preparation method of weather-proof high stable type packaging binder 佛山朝鸿新材料科技有限公司 2019-01-04 CN disclosed
CN-103881046-B Include the aqueous two part polyurethanes coating composition of alicyclic rigid polyols 罗门哈斯公司 2018-11-09 CN disclosed
CN-106118173-A Hydrophilic antifogging coating composition of photo-thermal dual curable and preparation method thereof 上海维凯光电新材料有限公司 2016-11-16 CN disclosed