SCHEMBL5145800

SCHEMBL5145800

C=C(C)C(=O)OC[N+](C)(C)C.CCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.37
PPARD Q03181 1/20 0.31
BTN3A1 O00481 1/20 0.30
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30

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
SCHEMBL258945 0.84 THRB (0.47) THRBTSHR
SCHEMBL1498219 0.82 TSHR (0.50) THRBTSHRALDH1A1
Bromide SCHEMBL17536050 0.80 TSHR (0.48) THRBTSHRALDH1A1
Hydrochloric Acid SCHEMBL10629539 0.80 THRB (0.50) THRBTSHRALDH1A1
SCHEMBL28044392 0.80 TSHR (0.48) THRBTSHRALDH1A1
Iodide SCHEMBL21253234 0.80 TSHR (0.48) THRBTSHRALDH1A1
SCHEMBL1072477 0.80 THRB (0.37) THRBTSHRALDH1A1PPARDBTN3A1
SCHEMBL29199920 0.80 THRB (0.58) THRBTSHRALDH1A1BTN3A1LPAR3
SCHEMBL4937680 0.77 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL1982897 0.76 BTN3A1 (0.37) THRBTSHRPPARDBTN3A1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300990-B2 A block copolymer of the A-B or A-B-A type in which A and B are different in which at least one of the A and B is formed from ethylenically unsaturated monomer including a zwitterionic monomer; is 2-methacryloyloxyethyl-2'-trimethylammonium ethyl phosphate inner salt as a monomer; for drug delivery BIOCOMPATIBLES UK LIMITED (GB) 2007-11-27 US disclosed
US-20050159556-A1 Zwitterionic polymers BIOCOMPATIBLES UK LIMITED 2005-07-21 US disclosed
US-6852816-B2 Zwitterionic polymers BIOCOMPATIBLES UK LIMITED (GB) 2005-02-08 US disclosed
US-20040063881-A1 Zwitterionic polymers BIOCOMPATIBLES UK LIMITED (GB) 2004-04-01 US disclosed
EP-1325046-A1 ZWITTERIONIC POLYMERS Biocompatibles UK Limited (GB) 2003-07-09 EP disclosed
WO-2002028929-A1 ZWITTERIONIC POLYMERS BIOCOMPATIBLES UK LIMITED (GB) 2002-04-11 WO disclosed