SCHEMBL21840705

SCHEMBL21840705

C=CC(=O)OCC(O)CF

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 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
Trimethylammonium SCHEMBL1303251 0.93 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
Dimethylamine SCHEMBL1303219 0.93 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
Diethylamine SCHEMBL1302375 0.88 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1302837 0.88 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL95157 0.87 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27821520 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL34872 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28785943 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL28051079 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16002532 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11152413-B2 Structure, method for producing structure, composition for forming absorption layer, solid-state imaging element, and image display device FUJIFILM CORPORATION (JP) 2021-10-19 US disclosed
US-20200119071-A1 STRUCTURE, METHOD FOR PRODUCING STRUCTURE, COMPOSITION FOR FORMING ABSORPTION LAYER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2020-04-16 US disclosed
CN-109476643-A PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS 伊莱利利公司 2019-03-15 CN disclosed
CN-101501003-B Phenyl-pyrazole derivatives as non-steroidal glucocorticoid receptor ligands GLAXO GROUP LTD 2013-05-08 CN disclosed
CN-101501003-A Phenyl-pyrazole derivatives as non-steroidal glucocorticoid receptor ligands GLAXO GROUP LTD (GB) 2009-08-05 CN disclosed