SCHEMBL543100

SCHEMBL543100

O=S(=O)(OCC#CC#CCOS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA3 P07451 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
EEF2K O00418 1/20 0.40
KMT2A Q03164 4/20 0.38
MMP2 P08253 2/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL11305460 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL542859 0.81 MEN1 (0.40) ALDH1A1CA1CA2CA12CA7
SCHEMBL15873778 0.81 PLCG1 (0.44) ALDH1A1MAPK1CA1CA2CA12
SCHEMBL542839 0.81 GAA (0.43) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL6259970 0.79 PKM (0.50) ALDH1A1CA1CA2TDP1MMP2
SCHEMBL6338672 0.78 KCNH2 (0.46) ALDH1A1CA1CA2CA12CA7
SCHEMBL6115151 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL11133439 0.77 STAT3 (0.40) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL11291803 0.75 POLB (0.49) ALDH1A1MAPK1CA2CA12CA9
SCHEMBL22320275 0.75 POLB (0.49) ALDH1A1MAPK1CA2CA12CA9

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8529682-B2 Process for preparing an indicator composition and indicator compositions TEMPTIME CORPORATION (US) 2013-09-10 US claimed
EP-1048476-B1 Time-temperature medium and use NCR INT INC (US) 2005-10-12 EP claimed
US-6524000-B1 A recording material comprising a base sheet suitable for feeding into a thermal printer, wherein said thermal printer is suitable for generating a thermal image on thermal paper, NCR CORPORATION 2003-02-25 US claimed
US-6517239-B1 Time-temperature indicators activated with thermal transfer printing and methods for their production NCR CORPROATION 2003-02-11 US claimed
EP-1048477-A1 Time-temperature indicators activated with direct thermal printing and methods for their production NCR INTERNATIONAL INC. (US) 2000-11-02 EP claimed
EP-1048476-A1 Time-temperature indicators activated with thermal transfer printing and methods for their production NCR INTERNATIONAL INC. (US) 2000-11-02 EP claimed
US-4298348-A 2,4-HEXADIYN-1,6-DIOL-BIS(P-CHLOROBENZENESULFONATE) ON A SUBSTRATE ALLIED CORPORATION (US) 1981-11-03 US claimed
US-20190137462-A1 A TIME-TEMPERATURE INDICATOR BASED ON INCREASED THERMAL REACTIVITY OF A DIACETYLENE UPON MELT RECRYSTALLIZATION JP LABORATORIES INC. 2019-05-09 US disclosed
EP-3452822-A1 A TIME-TEMPERATURE INDICATOR BASED ON INCREASED THERMAL REACTIVITY OF A DIACETYLENE UPON MELT RECRYSTALLIZATION JP Laboratories (US) 2019-03-13 EP disclosed
US-20180100807-A1 COLOR-CHANGING ENVIRONMENTAL STIMULUS INDICATOR WITH REFERENCE OF VARIABLE APPEARANCE TEMPTIME CORPORATION (US) 2018-04-12 US disclosed
WO-2017192444-A1 A TIME-TEMPERATURE INDICATOR BASED ON INCREASED THERMAL REACTIVITY OF A DIACETYLENE UPON MELT RECRYSTALLIZATION JP LABORATORIES (US) 2017-11-09 WO disclosed
EP-2414420-B1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS TEMPTIME CORP (US) 2015-07-08 EP disclosed
US-20130239874-A1 ROBUST, ULTRAVIOLET-PROTECTED AMBIENT CONDITION HISTORY INDICATOR AND METHOD OF MAKING SAME TEMPTIME CORPORATION (US) 2013-09-19 US disclosed
US-6524000-B1 A recording material comprising a base sheet suitable for feeding into a thermal printer, wherein said thermal printer is suitable for generating a thermal image on thermal paper, NCR CORPORATION 2003-02-25 US disclosed
US-6517239-B1 Time-temperature indicators activated with thermal transfer printing and methods for their production NCR CORPROATION 2003-02-11 US disclosed
EP-1048477-A1 Time-temperature indicators activated with direct thermal printing and methods for their production NCR INTERNATIONAL INC. (US) 2000-11-02 EP disclosed
EP-1048476-A1 Time-temperature indicators activated with thermal transfer printing and methods for their production NCR INTERNATIONAL INC. (US) 2000-11-02 EP disclosed
US-4298348-A 2,4-HEXADIYN-1,6-DIOL-BIS(P-CHLOROBENZENESULFONATE) ON A SUBSTRATE ALLIED CORPORATION (US) 1981-11-03 US disclosed
US-4298348-A 2,4-HEXADIYN-1,6-DIOL-BIS(P-CHLOROBENZENESULFONATE) ON A SUBSTRATE ALLIED CORPORATION (US) 1981-11-03 US disclosed
US-4278561-A MONITORING SHELF LIFE OF PERISHABLES, POLYMERIZATION, COLOR CHANGE ALLIED CHEMICAL CORPORATION (US) 1981-07-14 US disclosed