SCHEMBL8970460

SCHEMBL8970460

C=CC(=O)OC(Br)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.46
HPGD P15428 1/20 0.42
THRB P10828 4/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 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
Trimethylammonium SCHEMBL1301313 0.94 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
Dimethylamine SCHEMBL1303183 0.94 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL2396349 0.87 TSHR (0.50) TSHRHPGDTHRBZDHHC7FAAH
SCHEMBL6896970 0.85 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL28430041 0.85 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL2441939 0.83
SCHEMBL865527 0.82 TSHR (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3625946 0.82 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9545994 0.79 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL544590 0.79 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4

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-120129666-A Coated inorganic filaments and their preparation SABIC环球技术有限责任公司 2025-06-10 CN disclosed
EP-0421345-B1 Process for forming cured-resin layer having an antistatic surface MITSUBISHI CHEM CORP (JP) 1996-03-20 EP disclosed
US-5102488-A PROCESS FOR FORMING CURED-RESIN LAYER HAVING AN ANTISTATIC SURFACE MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0421345-A2 Process for forming cured-resin layer having an antistatic surface MITSUBISHI CHEMICAL CORPORATION (JP) 1991-04-10 EP disclosed