SCHEMBL16176196

SCHEMBL16176196

C=C(C)C(=O)ONCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
EPHX1 P07099 7/20 0.44
FAAH O00519 3/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CASP2 P42575 1/20 0.40
CNR2 P34972 1/20 0.40
HSP90AA1 P07900 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL20427935 1.00 TSHR (0.55) TSHREPHX1FAAHZDHHC20ZDHHC2
SCHEMBL27643100 1.00 TSHR (0.55) TSHREPHX1FAAHZDHHC20ZDHHC2
SCHEMBL27489106 1.00 TSHR (0.55) TSHREPHX1FAAHZDHHC20ZDHHC2
SCHEMBL18725606 1.00 TSHR (0.55) TSHREPHX1FAAHZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL346303 0.98 TSHR (0.53) TSHREPHX1FAAHZDHHC20ZDHHC2
SCHEMBL8154331 0.98 TSHR (0.52) TSHREPHX1FAAHZDHHC20ZDHHC2
SCHEMBL4609619 0.92 TSHR (0.48) TSHREPHX1ALDH1A1CNR2
SCHEMBL28507521 0.91 TSHR (0.47) TSHREPHX1ALDH1A1CNR2
SCHEMBL28014306 0.86 EPHX1 (0.52) EPHX1FAAHZDHHC20ZDHHC2CASP2
SCHEMBL28013640 0.86 EPHX1 (0.52) EPHX1FAAHZDHHC20ZDHHC2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602043-B Apparatus and process for high pressure polymerization of ethylene 埃克森美孚化学专利公司 2021-05-14 CN disclosed
US-9624317-B2 Amphiphilic macromolecular emulsifier with switchable surface activity and use thereof in preparation of polymer latex ZHEJIANG UNIVERSITY (CN) 2017-04-18 US disclosed
US-20140316049-A1 AMPHIPHILIC MACROMOLECULAR EMULSIFIER WITH SWITCHABLE SURFACE ACTIVITY AND USE THEREOF IN PREPARATION OF POLYMER LATEX ZHEJIANG UNIVERSITY (CN) 2014-10-23 US disclosed