SCHEMBL28404226

SCHEMBL28404226

C=C(C)C(=O)OCCc1ccc(C)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.30
NQO2 P16083 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 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
SCHEMBL1285930 0.88 THRB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL31425225 0.86 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL28398897 0.86 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL15019921 0.86 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL958142 0.83 THRB (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL28995247 0.81 THRB (0.40) THRBPOLBAPEX1HTTTDP1
Ammonia Solution, Strong SCHEMBL4885946 0.80 THRB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL146236 0.79 THRB (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL29603148 0.79 THRB (0.46) THRBPOLBAPEX1HTTTDP1
Carbamic Acid SCHEMBL30285522 0.77 POLB (0.36) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112672716-B Additive manufacturing method 登士柏德特里有限公司 2022-12-20 CN disclosed
CN-115401909-A Additive manufacturing method 登士柏德特里有限公司 2022-11-29 CN disclosed
CN-114072122-A Redox curing dental compositions 登士柏德特里有限公司 2022-02-18 CN disclosed
CN-112672716-A Additive manufacturing method 登士柏德特里有限公司 2021-04-16 CN disclosed
CN-106714766-B Method for producing a particulate dental filler composition 登特斯普伊德特雷有限公司 2020-11-24 CN disclosed
CN-111225648-A Photocurable dental compositions 登特斯普伊德特雷有限公司 2020-06-02 CN disclosed