SCHEMBL28057251

SCHEMBL28057251

C=CC(=O)OCC[N+](C)(C)C(Cl)CCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HCAR2 Q8TDS4 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ACHE P22303 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ ZDHHC7 Q9NXF8 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ABCB1 P08183 1/20 0.35

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
Bromide SCHEMBL28187197 0.85 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4HCAR2
Bromide SCHEMBL28248448 0.85 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9485642 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9481026 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL3704021 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL5693523 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL29974376 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL1478181 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9480136 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9482851 0.78 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418840-A Preparation method of hydrophobically associating polymer inverse emulsion UNIV CHINA PETROLEUM EAST CHINA 2016-03-23 — — CN claimed
CN-105418840-B Preparation method of hydrophobically associating polymer inverse emulsion 中国石油大学(华东) 2017-03-08 — — CN disclosed
CN-105418840-A Preparation method of hydrophobically associating polymer inverse emulsion UNIV CHINA PETROLEUM EAST CHINA 2016-03-23 — — CN disclosed
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