SCHEMBL4093452

SCHEMBL4093452

O=[PH](O)O[PH](=O)O.OCc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TTR P02766 3/20 0.37
CYP3A4 P08684 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
ACHE P22303 2/20 0.35
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
ACLY P53396 1/20 0.33
HPGD P15428 3/20 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
Phosphonic Acid SCHEMBL4093450 0.88 HSD17B10 (0.42) TSHRHSD17B10TTRCYP3A4RECQL
SCHEMBL737479 0.82 HSD17B10 (0.52) TSHRHSD17B10TTRCYP3A4RECQL
SCHEMBL10860644 0.73 MEN1 (0.38) TTRALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL3913401 0.72 ERN1 (0.41) TSHRHSD17B10TTRCYP3A4RECQL
SCHEMBL10861111 0.72 MAPT (0.30) MAPT
SCHEMBL10861698 0.72 ALDH1A1 (0.33) TSHRHSD17B10CYP3A4RECQLALDH1A1
SCHEMBL13365218 0.71 ACHE (0.44) TSHRHSD17B10TTRCYP3A4RECQL
SCHEMBL9812457 0.70 KDM4E (0.57) TSHRHSD17B10TTRCYP3A4RECQL
Benzyl Alcohol SCHEMBL10856262 0.68 TSHR (0.61) TSHRALDH1A1HPGDMAPK1
SCHEMBL29173956 0.68 AKR1C2 (0.60) HSD17B10TTRALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed