SCHEMBL8439474

SCHEMBL8439474

CC[P+](CC)(CC)CC.CC[P+](CC)(CC)CC.CC[P+](CC)(CC)CC.O=C([O-])CCC(CCC(=O)[O-])C(=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CA1 P00915 3/20 0.48
CA2 P00918 4/20 0.47
FFAR3 O14843 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
BBOX1 O75936 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
FOLH1 Q04609 2/20 0.36

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
Tetramethylammonium Ion SCHEMBL8437282 0.82 BBOX1 (0.56) NFKB1CYP3A4TSHRNPSR1CA1
Adipic Acid SCHEMBL8437395 0.77 CA1 (0.56) NFKB1CA1CA2FFAR3HDAC3
Butyric Acid SCHEMBL1036067 0.77 FFAR3 (0.74) NFKB1CYP3A4TSHRNPSR1CA1
Propionic Acid SCHEMBL1036707 0.73 FFAR3 (0.43) NFKB1CYP3A4TSHRNPSR1CA1
Butyric Acid SCHEMBL7613310 0.73 FFAR3 (0.67) NFKB1CA1CA2FFAR3HDAC3
SCHEMBL29829010 0.73 CA1 (0.50) NFKB1CYP3A4TSHRNPSR1CA1
Bicarbonate SCHEMBL7573097 0.72 CYP3A4 (0.41) NFKB1CYP3A4TSHRNPSR1CA1
SCHEMBL28407013 0.72 CA2 (0.64) NFKB1CYP3A4TSHRNPSR1CA1
Acetic Acid SCHEMBL1032630 0.70 CA1 (0.53) NFKB1CYP3A4TSHRNPSR1CA1
Oxalic Acid SCHEMBL1052434 0.70 CA4 (0.44) NFKB1CYP3A4TSHRNPSR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688806-B1 Biodegradable aliphatic polyester, melt-extrusion film thereof, and process for the production thereof TOKUYAMA CORP (JP) 1999-12-22 EP disclosed
US-5783271-A POLYLACTONE GARBAGE BAG; WATER VAPOR PERMABILITY, HIGH MOLECULAR WEIGHT TOKUYAMA CORPORATION (JP) 1998-07-21 US disclosed
US-5750218-A USING 2-OXETANONE TOKUYAMA CORPORATION (JP) 1998-05-12 US disclosed
US-5731402-A Biodegradable aliphatic polyester, melt-extrusion film thereof, and process for the production thereof TOKUYAMA CORPORATION (JP) 1998-03-24 US disclosed
EP-0688806-A2 Biodegradable aliphatic polyester, melt-extrusion film thereof, and process for the production thereof TOKUYAMA CORPORATION (JP) 1995-12-27 EP disclosed