SCHEMBL723667

SCHEMBL723667

CCCCC(OC)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMPD1 P17405 3/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL14779512 0.87 DNM1 (0.38) DNM1CA1CA2SMPD1OPRM1
SCHEMBL5708974 0.87 DNM1 (0.38) DNM1CA1CA2SMPD1OPRM1
SCHEMBL6376880 0.85 TSHR (0.31)
SCHEMBL611894 0.82
SCHEMBL14779074 0.80 OPRM1 (0.46) DNM1CA1SMPD1OPRM1
SCHEMBL14778419 0.78 SMPD1 (0.47) DNM1SMPD1OPRM1
SCHEMBL14779344 0.78 SMPD1 (0.47) DNM1SMPD1OPRM1
SCHEMBL14778774 0.78 SMPD1 (0.47) DNM1SMPD1OPRM1
SCHEMBL11030744 0.78 SMPD1 (0.47) DNM1SMPD1OPRM1
SCHEMBL14779988 0.78 SMPD1 (0.47) DNM1SMPD1OPRM1

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 8 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
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