SCHEMBL27738784

SCHEMBL27738784

C=CC(=O)OC[N+](C)(C)CC.COS(=O)(=O)O

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 3/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27804909 0.89 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27834736 0.89 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL41918 0.88 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Sulfuric Acid SCHEMBL27788501 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Iodide SCHEMBL27806997 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL600420 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL28205864 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27842116 0.85 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Chloromethane SCHEMBL27319912 0.84 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Trifluoromethanesulfonic Acid SCHEMBL27972974 0.84 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A

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-101371955-B Process for dewatering a mineral slurry concentrate and increasing the production of a filter cake NEO SOLUTIONS INC 2013-02-20 CN claimed
CN-101371955-A Process for dewatering a mineral slurry concentrate and increasing the production of a filter cake NEO SOLUTIONS INC (US) 2009-02-25 CN claimed
CN-101371955-B Process for dewatering a mineral slurry concentrate and increasing the production of a filter cake NEO SOLUTIONS INC 2013-02-20 CN disclosed
CN-101371955-A Process for dewatering a mineral slurry concentrate and increasing the production of a filter cake NEO SOLUTIONS INC (US) 2009-02-25 CN disclosed