SCHEMBL3319916

SCHEMBL3319916

C=C[CH]OS(=O)(=O)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
TSHR P16473 2/20 0.37
CA2 P00918 11/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3295254 0.98 FAAH (0.42) FAAHTSHRCA2CA1CA9
SCHEMBL3298086 0.94 ALDH1A1 (0.39) FAAHTSHRCA2ALDH1A1NPC1
SCHEMBL3291701 0.85
SCHEMBL4539381 0.83 FAAH (0.41) FAAHTSHRCA2ALDH1A1NPC1
SCHEMBL29211208 0.82 FAAH (0.45) FAAHTSHRCA2CA1CA9
SCHEMBL3299150 0.78
SCHEMBL3291975 0.78 CA1 (0.30) CA2CA1
SCHEMBL6247258 0.77 FAAH (0.43) FAAHTSHRCA2ALDH1A1NPC1
SCHEMBL2489357 0.77 ALDH1A1 (0.41) FAAHTSHRCA2ALDH1A1NPC1
SCHEMBL26929262 0.75 FAAH (0.41) FAAHTSHRCA2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732646-B2 Crosslinking agent based on linear hydroxypolyallyl ether DAISO CO., LTD. (JP) 2010-06-08 US disclosed
EP-1247834-B1 CROSSLINKING AGENT BASED ON POLYALLYL ETHER COMPOUND DAISO CO LTD (JP) 2007-04-25 EP disclosed
US-20050113526-A1 Crosslinking agent based on linear hydroxypolyallyl ether OSAKA SODA CO., LTD. (JP) 2005-05-26 US disclosed
US-6835325-B1 Highly water-absorbing polymer DAISO CO., LTD. (JP) 2004-12-28 US disclosed
US-20030208022-A1 Crosslinking agent based on linear hydroxypolyallyl ether DAISO CO., LTD. (JP) 2003-11-06 US disclosed
US-20030208020-A1 Water absorbing polymer BASF AKTIENGESELLSCHAFT, A GERMAN CORPORATION (DE) 2003-11-06 US disclosed
EP-1247834-A1 CROSSLINKING AGENT BASED ON POLYALLYL ETHER COMPOUND DAISO CO., LTD. (JP) 2002-10-09 EP disclosed