SCHEMBL28273631

SCHEMBL28273631

C=C(C)C(=O)OC(C)N(CC)CC.C=C(C)C(=O)OC(C)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
FDPS P14324 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
SCHEMBL14873 1.00 TSHR (0.44) TSHRALDH1A1THRBPGRADRA2A
Ammonia Solution, Strong SCHEMBL28263372 0.98 TSHR (0.42) TSHRALDH1A1THRBPGRADRA2A
Hydrochloric Acid SCHEMBL9258461 0.98 TSHR (0.42) TSHRALDH1A1THRBPGRADRA2A
Chloromethane SCHEMBL1128070 0.96 TSHR (0.41) TSHRALDH1A1THRB
Isopropyl Alcohol SCHEMBL20480785 0.96 TSHR (0.41) TSHRALDH1A1THRB
Acetic Acid SCHEMBL27216306 0.96 TSHR (0.41) TSHRALDH1A1THRBPGRADRA2A
Methacrylic Acid SCHEMBL1060299 0.94 TSHR (0.40) TSHRALDH1A1THRBPGRADRA2A
Boric Acid SCHEMBL8763863 0.94 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL8106923 0.94 TSHR (0.40) TSHRALDH1A1THRB
Sulfuric Acid SCHEMBL10584248 0.93 TSHR (0.39) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109444276-A A kind of gas-chromatography packed column and its preparation method and application 兰州东立龙信息技术有限公司 2019-03-08 CN disclosed
CN-109158095-A A kind of filling column packing and preparation method thereof 兰州东立龙信息技术有限公司 2019-01-08 CN disclosed