SCHEMBL9301632

SCHEMBL9301632

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 3/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9302435 0.92 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9251422 0.89 TSHR (0.41) TSHRHPGDTHRBHSD17B10
SCHEMBL10339368 0.89 TSHR (0.41) TSHRHPGDTHRBHSD17B10
SCHEMBL9304290 0.87 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3132072 0.86 ALDH1A1 (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9312011 0.85 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28585678 0.83 ALDH1A1 (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31544632 0.80 ALDH1A1 (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL63735 0.80 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5511003 0.80 TSHR (0.33) TSHRHPGD

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
US-5336582-A Electrophotographic image formation comprising an arylamine in a charge transport layer and an encapsulated toner FUJI XEROX CO., LTD. (JP) 1994-08-09 US disclosed
US-5300388-A Toner for electrophotography and process for producing the same FUJI XEROX CO., LTD. (JP) 1994-04-05 US disclosed