SCHEMBL724323

SCHEMBL724323

CCCCOCOCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CYP3A4 P08684 3/20 0.35
HTT P42858 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32

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
SCHEMBL58852 0.87
SCHEMBL5803220 0.85 HSD17B10 (0.48) USP2HSD17B10L3MBTL1
SCHEMBL5530725 0.85 TSHR (0.50) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL13315991 0.83 TSHR (0.48) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL29030314 0.83 TSHR (0.48) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL302981 0.82 TSHR (0.55) TSHRUSP2CYP3A4HTTADRB2
SCHEMBL96285 0.80 USP2 (0.54) USP2SPHK1HTTHSD17B10MEN1
Ethylene Glycol SCHEMBL27876034 0.79 TSHR (0.56) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL1647546 0.79 TSHR (0.52) TSHRUSP2CYP3A4HTTADRB2
SCHEMBL723652 0.79 ALDH1A1 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017075351-A1 POLYURETHANE BINDER CONTAINING ALCOHOL SOLVENT ASK CHEMICALS, L.P. (US) 2017-05-04 WO disclosed
EP-2598550-B1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-12-31 EP disclosed
US-20140300031-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALS, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-10-09 US disclosed
EP-2598550-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK Chemicals GmbH (DE) 2013-06-05 EP disclosed
CN-103080179-A Binder system based on polyurethane for producing cores and casting molds using cyclic formaldehydes, molding material mixture, and method ASK CHEMICALS GMBH 2013-05-01 CN disclosed
WO-2012025084-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2012-03-01 WO disclosed
US-4172068-A POLYOL, POLYISOCYANATE; ACETAL OR KETAL AS SOLVENT INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1979-10-23 US disclosed
US-4116916-A BINDER, PHENOL-FORMALDEHYDE RESIN, POLYISOCYANATE, SOLVENT INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1978-09-26 US disclosed
US-4051092-A CURABLE RESIN, POLYISOCYANATE INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1977-09-27 US disclosed