SCHEMBL1406732

SCHEMBL1406732

FC(F)(F)[I+](c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KIF11 P52732 1/20 0.35
CES1 P23141 2/20 0.33
PTPN1 P18031 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL2222753 0.71 MAPK1 (0.36) ALDH1A1TSHR
SCHEMBL7047121 0.63 ALDH1A1 (0.40) ALDH1A1TSHRCA1CA2CA9
SCHEMBL1505841 0.61 TSHR (0.50) ALDH1A1TSHR
Water SCHEMBL27419918 0.61 ALDH1A1 (0.38) ALDH1A1TSHRKIF11CES1PTPN1
Trifluoromethylbenzene SCHEMBL28205538 0.61 TSHR (0.88) ALDH1A1TSHRKIF11CES1PTPN1
SCHEMBL8582066 0.61 TSHR (0.58) ALDH1A1TSHRKIF11CES1PTPN1
SCHEMBL8156245 0.59 TSHR (0.41) ALDH1A1TSHRKIF11CES1PTPN1
Biphenyl SCHEMBL27323950 0.59 ALDH1A1 (0.53) ALDH1A1TSHRKIF11PTPN1
SCHEMBL15931137 0.59 ALDH1A1 (0.48) ALDH1A1TSHRKIF11CES1PTPN1
SCHEMBL1285880 0.59 MAPK1 (0.36) ALDH1A1TSHR

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
EP-1023360-B1 PHOTONEUTRALIZATION OF pH SENSITIVE AQUEOUS POLYMERIC DISPERSIONS AND METHODS FOR USING SAME SUN CHEMICAL CORP (US) 2011-03-09 EP claimed
EP-0745633-B1 Si containing high molecular compound and photosensitive resin composition NEC CORP (JP) 2000-08-02 EP claimed
WO-2021039799-A1 CURABLE COMPOSITION 株式会社日本触媒 2021-03-04 WO disclosed
US-5882843-A ACRYLIC POLYMER, INITIATOR, SOLVENTS, THERMAL CROSSLINKER AND PIGMENTS HOECHST JAPAN LIMITED (JP) 1999-03-16 US disclosed
EP-0713144-B1 Photosensitive resin composition HOECHST JAPAN (JP) 1998-09-23 EP disclosed
EP-0713144-A2 Photosensitive resin composition HOECHST JAPAN LIMITED (JP) 1996-05-22 EP disclosed