SCHEMBL4332736

SCHEMBL4332736

ClCc1cccc(C2CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
PARP1 P09874 1/20 0.46
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
GSTO1 P78417 1/20 0.34
CHRM5 P08912 1/20 0.34
DRD2 P14416 2/20 0.33
ADRA2A P08913 3/20 0.33
DRD3 P35462 2/20 0.33
ADRA1A P35348 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL23662564 0.81 TSHR (0.37) TSHRDRD2DRD3ALDH1A1
SCHEMBL14749898 0.81 TSHR (0.48) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL28261596 0.81 PARP1 (0.50) TSHRPARP1
SCHEMBL19101551 0.79 TSHR (0.47) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL46283 0.79 TSHR (0.67) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL21974861 0.79 TSHR (0.67) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL28117356 0.79 FFAR1 (0.36) TSHRPARP1
SCHEMBL15281735 0.78 DRD3 (0.48) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL14397228 0.78 PARP1 (0.47) TSHRPARP1DRD2DRD3ALDH1A1
SCHEMBL2911908 0.76 DRD2 (0.45) TSHRDRD2DRD3HTR2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707719-A Preparation method of high-strength fluoride salt with fluoride ion release capability and application of fluoride salt in 3D printing orthodontic appliance 上海信斯帝克新材料有限公司 2025-03-28 CN claimed
CN-119707719-A Preparation method of high-strength fluoride salt with fluoride ion release capability and application of fluoride salt in 3D printing orthodontic appliance 上海信斯帝克新材料有限公司 2025-03-28 CN disclosed
US-20200040157-A1 NANOSUBSTANCE-CONTAINING COMPOSITION OSAKA SODA CO LTD (JP) 2020-02-06 US disclosed
US-20090023889-A1 PROCESS FOR PRODUCING ETHER POLYMER DAISCO CO., LTD. (JP) 2009-01-22 US disclosed