SCHEMBL2954412

SCHEMBL2954412

Ic1ccc(C(=C(c2ccc(I)cc2)c2ccc(I)cc2)c2ccc(I)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.55
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
GSK3B P49841 1/20 0.46
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
APP P05067 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL12331160 0.88 TPMT (0.52) TPMTCA1CA2GSK3BTSHR
SCHEMBL9494901 0.82 TSHR (0.59) TPMTCA1CA2GSK3BSLC22A2
SCHEMBL4083603 0.79 TPMT (0.55) TPMTCA1CA2GSK3BSLC22A2
SCHEMBL67142 0.76
SCHEMBL10597056 0.76 HDAC8 (0.50) TPMTCA1CA2GSK3BSLC22A2
SCHEMBL9494307 0.74 TSHR (0.77) TPMTCA1CA2GSK3BAPP
SCHEMBL3841301 0.73 TPMT (0.65) TPMTCA1CA2GSK3BMAPK1
SCHEMBL10899035 0.73 TPMT (0.50) TPMTCA1CA2GSK3BSLC22A2
SCHEMBL17996528 0.73 TPMT (0.50) TPMTCA1CA2GSK3BSLC22A2
SCHEMBL9389844 0.73 TPMT (0.65) TPMTCA1CA2GSK3BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724373-B Functional organic porous polymer and preparation method and application thereof 山东大学 2021-09-21 CN claimed
CN-112724373-A Functional organic porous polymer and preparation method and application thereof 山东大学 2021-04-30 CN claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 US claimed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 EP claimed
CN-111504964-B MOF-Cd probe for detecting lysine as well as preparation method and application thereof 河北大学 2022-11-18 CN disclosed
CN-112724373-B Functional organic porous polymer and preparation method and application thereof 山东大学 2021-09-21 CN disclosed
CN-112724373-A Functional organic porous polymer and preparation method and application thereof 山东大学 2021-04-30 CN disclosed
CN-111504964-A MOF-Cd probe for detecting lysine and preparation method and application thereof 河北大学 2020-08-07 CN disclosed
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US disclosed
US-20100092825-A1 Fuel cell, fuel cell system, and portable electronic device KURITA WATER INDUSTRIES LTD. (JP) 2010-04-15 US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US disclosed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP disclosed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 US disclosed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 EP disclosed