SCHEMBL723665

SCHEMBL723665

CCCCCOCOC(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
CES2 O00748 2/20 0.39
DNM1 Q05193 1/20 0.39
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL15159038 0.98 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL24083149 0.98 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL27657214 0.94 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL722046 0.93 TSHR (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL4492276 0.83 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL15159061 0.82
SCHEMBL4840053 0.81 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL27888500 0.81 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL27959768 0.81 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL7417772 0.80 CES2 (0.44) HTTMEN1THRBKMT2AMAPT

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 11 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
US-8956802-B2 Pattern forming method, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2015-02-17 US 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
US-20130202999-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2013-08-08 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