SCHEMBL6924607

SCHEMBL6924607

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.45
HPGD P15428 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4627708 0.84 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8056807 0.79 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15842026 0.74 HCAR2 (0.31)
SCHEMBL263812 0.72
SCHEMBL27625335 0.71 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28287480 0.71 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL32679511 0.71 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8871105 0.71 TSHR (0.30) TSHR
SCHEMBL27465287 0.71 TSHR (0.30) TSHR
Hydrochloric Acid SCHEMBL18316478 0.70

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-6514887-B1 Fluorinated triazine monomers THE SECRETARY OF STATE FOR DEFENCE (GB) 2003-02-04 US disclosed
EP-1001950-B1 FLUORINATED TRIAZINE MONOMERS SECR DEFENCE (GB) 2002-12-04 EP disclosed