SCHEMBL10132729

SCHEMBL10132729

OC(c1c2c(cc3ccccc13)=CCCC=2)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
PTPN1 P18031 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
SCHEMBL14294943 1.00 DHODH (0.32) DHODHPTPN1
SCHEMBL14300116 0.81 UGT2B7 (0.35)
SCHEMBL977301 0.78 ALDH1A1 (0.39) DHODHPTPN1
SCHEMBL3075110 0.78 ALDH1A1 (0.39) DHODHPTPN1
SCHEMBL2482183 0.78 ALDH1A1 (0.39) DHODHPTPN1
SCHEMBL14300060 0.71 HTR2A (0.36)
SCHEMBL7074543 0.67 PTPN22 (0.47)
SCHEMBL8745296 0.67 ALDH1A1 (0.36) PTPN1
SCHEMBL29946603 0.67 PTPN22 (0.47)
SCHEMBL14294917 0.67

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-20120165516-A1 FILLER FOR OPTICAL ISOMER SEPARATION DAICEL CHEMICAL INDUSTRIES, LTD. 2012-06-28 US disclosed
US-8124712-B2 Filler for optical isomer separation NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-02-28 US disclosed
EP-2145903-A1 SEPARATING AGENT FOR OPTICAL ISOMER National University Corporation Nagoya University (JP) 2010-01-20 EP disclosed
US-20090105440-A1 Filler for Optical Isomer Separation NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2009-04-23 US disclosed
EP-2028487-A1 FILLER FOR OPTICAL ISOMER SEPARATION National University Corporation Nagoya University (JP) 2009-02-25 EP disclosed
EP-1887354-A1 BEAD FOR OPTICAL-ISOMER RESOLUTION AND PROCESS FOR PRODUCING THE SAME National University Corporation Nagoya University (JP) 2008-02-13 EP disclosed