SCHEMBL13099338

SCHEMBL13099338

CC(C)(c1cc(I)c(OCC2CO2)c(I)c1)c1cc(I)c(OCC2CO2)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 4/20 0.55
TP53 P04637 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP1A2 P05177 1/20 0.55
PPARG P37231 1/20 0.55
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.37
PKM P14618 2/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34

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
SCHEMBL31276451 0.90 ALDH1A1 (0.47) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL15079100 0.90 TSHR (0.47) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2830269 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL6013761 0.81 ALDH1A1 (0.47) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL15835600 0.81 TSHR (0.69) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL1104781 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836185 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL7139031 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832966 0.79 ALDH1A1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL5180114 0.79 ALDH1A1 (0.54) ALDH1A1TSHRTP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575238-B2 X-ray opaque coating RAYTHEON COMPANY (US) 2013-11-05 US disclosed
US-8575238-B2 X-ray opaque coating RAYTHEON COMPANY (US) 2013-11-05 US disclosed
US-20130165546-A1 X-RAY OPAQUE COATING RAYTHEON COMPANY (US) 2013-06-27 US disclosed
US-20130165546-A1 X-RAY OPAQUE COATING RAYTHEON COMPANY (US) 2013-06-27 US disclosed
US-20100255312-A1 X-Ray Opaque Coating RAYTHEON COMPANY 2010-10-07 US disclosed
US-20100255312-A1 X-Ray Opaque Coating RAYTHEON COMPANY 2010-10-07 US disclosed