SCHEMBL1302837

SCHEMBL1302837

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
HPGD P15428 2/20 0.40
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 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
Trimethylammonium SCHEMBL1303251 0.88 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21840705 0.88 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1302161 0.85 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Dimethylamine SCHEMBL1303219 0.85 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1302330 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1303567 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
Diethylamine SCHEMBL1302375 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1254957 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL1254946 0.82 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Iodide SCHEMBL1254370 0.82 TSHR (0.50) 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
EP-2387866-A1 ELECTROMAGNETIC WAVE SHIELDING GEL-LIKE COMPOSITION 3M Innovative Properties Company (US) 2011-11-23 EP disclosed
US-20110268950-A1 Electromagnetic Wave Shielding Gel-Like Composition 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-03 US disclosed
US-8038066-B2 Laser scanner with deformable lens HAND HELD PRODUCTS, INC. (US) 2011-10-18 US disclosed
WO-2010083075-A1 ELECTROMAGNETIC WAVE SHIELDING GEL-LIKE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-07-22 WO disclosed