SCHEMBL8056807

SCHEMBL8056807

C=CC(=O)ON(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6924607 0.79 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4627708 0.77 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL263812 0.75
SCHEMBL28287480 0.74 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL18316478 0.73
SCHEMBL941853 0.71 ALDH1A1 (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28777374 0.70
SCHEMBL27747498 0.70 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL21714233 0.70 HCAR2 (0.46) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL8522437 0.70 TSHR (0.45) 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-100510037-C Friction regulator for lubricating oil and lubricating oil composition SANYO CHEMICAL IND LTD (JP) 2009-07-08 CN disclosed
CN-1643119-A Friction modifier for lubricating oil and lubricating oil composition SANYO CHEMICAL IND LTD (JP) 2005-07-20 CN disclosed
EP-1001950-A1 FLUORINATED TRIAZINE MONOMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-05-24 EP disclosed
WO-1999005127-A1 FLUORINATED TRIAZINE MONOMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-02-04 WO disclosed