SCHEMBL3286955

SCHEMBL3286955

CCCCNCC(O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
GAA P10253 1/20 0.35
EPHX1 P07099 2/20 0.34
ALOX15 P16050 1/20 0.34
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 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
Bromide SCHEMBL29194947 0.97 TSHR (0.48) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4538493 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8871452 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL15309934 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9575912 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8871137 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8871024 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3284743 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4540119 0.90 TSHR (0.55) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2060000 0.88 ALDH1A1 (0.52) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102443500-B Cleaning liquid composition and cleaning method CHI MEI CORP 2014-05-21 CN disclosed
CN-102443500-A Cleaning liquid composition and cleaning method CHI MEI CORP 2012-05-09 CN disclosed
CN-101010421-B Surface active agent SANYO CHEMICAL IND LTD 2011-08-03 CN disclosed
US-7704939-B2 Surfactant SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-27 US disclosed
CN-101010421-A Surface active agent SANYO CHEMICAL IND LTD (JP) 2007-08-01 CN disclosed
US-20070167343-A1 neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-19 US disclosed
CN-1693439-A Alkali cleaner SANYO CHEMICAL IND LTD (JP) 2005-11-09 CN disclosed
US-20050245422-A1 Alkali cleaner SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-03 US disclosed