SCHEMBL8978404

SCHEMBL8978404

CCCCOC(COOCOOCC(OCCCC)OCCCC)OCCCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL28534846 0.78 TSHR (0.39) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL9502490 0.76 TSHR (0.42) DNM1ADRB2ADRB1ADRB3CYP3A4
SCHEMBL28729472 0.76 DNM1 (0.41) DNM1CA1CA2
SCHEMBL20135564 0.74 ADRB2 (0.35) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL7040366 0.74 TSHR (0.32) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL11835645 0.74 CA1 (0.31) CA1CA2
SCHEMBL7554756 0.73 DNM1 (0.33) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL8347145 0.72 ADRB2 (0.41) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL2311733 0.72 ADRB2 (0.41) DNM1ADRB2ADRB1ADRB3CA1
SCHEMBL28131148 0.71 TSHR (0.33) DNM1ADRB2ADRB1ADRB3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470040-B1 Process for the preparation of a rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-09-11 EP claimed
EP-0470042-B1 Process for the preparation of a masterbatch rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-05-08 EP claimed
WO-2023078664-A1 ELECTRODEPOSITION COATING COMPOSITION AND ITS PREPARATION BASF COATINGS GMBH (DE) 2023-05-11 WO disclosed
EP-3197961-B1 AQUEOUS BINDER DISPERSIONS FOR CATHODIC ELECTRODIP COATING BASF COATINGS GMBH (DE) 2018-10-24 EP disclosed
US-20170298236-A1 AQUEOUS BINDER DISPERSIONS INTENDED FOR CATHODIC ELECTROCOAT MATERIALS AND COMPRISING A CROSSLINKER BASED ON 2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL-BLOCKED POLYISOCYANATES BASF COATINGS GMBH (DE) 2017-10-19 US disclosed
EP-3197961-A1 AQUEOUS DISPERSIONS OF BINDERS FOR CATHODIC ELECTRODEPOSITION COATINGS CONTAINING A CROSS-LINKING AGENT ON THE BASIS OF POLYISOCYANATES BLOCKED WITH 2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL BASF Coatings GmbH (DE) 2017-08-02 EP disclosed
WO-2016045842-A1 AQUEOUS DISPERSIONS OF BINDERS FOR CATHODIC ELECTRODEPOSITION COATINGS CONTAINING A CROSS-LINKING AGENT ON THE BASIS OF POLYISOCYANATES BLOCKED WITH 2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL BASF COATINGS GMBH (DE) 2016-03-31 WO disclosed