SCHEMBL3901758

SCHEMBL3901758

C=CC(=O)NC(C)NC(C)NC(=O)C=C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.38
ACACB O00763 2/20 0.34
TGM2 P21980 3/20 0.33
GAA P10253 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
LMNA P02545 1/20 0.30
GSTO1 P78417 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
SCHEMBL636063 0.90 TSHR (0.71) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL5360732 0.83
SCHEMBL28518754 0.83 TSHR (0.62) TSHRALDH1A1MAPK1TDP1CYP2C19
Hydrochloric Acid SCHEMBL22264048 0.82 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
Hydrochloric Acid SCHEMBL27985636 0.81 TSHR (0.60) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL27799665 0.79 TSHR (1.00) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL15072 0.79
SCHEMBL26479936 0.79 TSHR (0.71) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL5693386 0.78 TSHR (0.56) TSHRALDH1A1MAPK1TDP1CYP2C19
Water SCHEMBL23706522 0.77

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436558-A1 COMPOSITION BASED ON A MICHAEL ADDITION PRODUCT, METHODS FOR PREPARING IT AND ITS USE BASF Lacke + Farben AG (DE) 1991-07-17 EP claimed
EP-0287842-B1 CURABLE COMPOSITIONS CONTAINING A MICHAEL-ADDITION PRODUCT, THEIR PREPARATION AND USE BASF Lacke + Farben AG (DE) 1991-06-12 EP claimed
WO-1990003404-A1 COMPOSITION BASED ON A MICHAEL ADDITION PRODUCT, METHODS FOR PREPARING IT AND ITS USE BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1990-04-05 WO claimed
EP-0361048-A1 Curable composition containing a Michael addition product, its preparation and its use BASF Lacke + Farben AG (DE) 1990-04-04 EP claimed
EP-0342205-A1 HARDENABLE COMPOSITION ON THE BASIS OF A MICHAEL ADDITION PRODUCT, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF BASF Lacke + Farben AG (DE) 1989-11-23 EP claimed
EP-0287842-A1 Curable compositions containing a Michael-addition product, their preparation and use BASF Lacke + Farben AG (DE) 1988-10-26 EP claimed
WO-1988007556-A1 HARDENABLE COMPOSITION ON THE BASIS OF A MICHAEL ADDITION PRODUCT, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1988-10-06 WO claimed
US-7514500-B2 Complexing resins and method for preparation thereof COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2009-04-07 US disclosed
EP-1730224-A4 POLYMER BEADS INCORPORATING IRON OXIDE PARTICLES COMMW SCIENT IND RES ORG (AU) 2009-03-25 EP disclosed
US-20080099715-A1 Polymer Beads Incorporating Iron Oxide Particles COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 2008-05-01 US disclosed
EP-1730224-A1 POLYMER BEADS INCORPORATING IRON OXIDE PARTICLES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2006-12-13 EP disclosed
EP-1470164-A4 COMPLEXING RESINS AND METHOD FOR PREPARATION THEREOF COMMW SCIENT IND RES ORG (AU) 2006-04-12 EP disclosed
WO-2005090458-A1 POLYMER BEADS INCORPORATING IRON OXIDE PARTICLES COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-09-29 WO disclosed
EP-0287842-B1 CURABLE COMPOSITIONS CONTAINING A MICHAEL-ADDITION PRODUCT, THEIR PREPARATION AND USE BASF Lacke + Farben AG (DE) 1991-06-12 EP disclosed
EP-0373165-A1 BRANCHED ACRYLATE COPOLYMERISATE WITH POLYMERIZABLE DOUBLE BONDS AND PROCESS FOR MANUFACTURE THEREOF BASF Lacke + Farben AG (DE) 1990-06-20 EP disclosed
WO-1990003404-A1 COMPOSITION BASED ON A MICHAEL ADDITION PRODUCT, METHODS FOR PREPARING IT AND ITS USE BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1990-04-05 WO disclosed
EP-0361048-A1 Curable composition containing a Michael addition product, its preparation and its use BASF Lacke + Farben AG (DE) 1990-04-04 EP disclosed
EP-0291662-A1 Process for the manufacture of branched acrylic copolymer having polymerizable double bonds and their use BASF Lacke + Farben AG (DE) 1988-11-23 EP disclosed
EP-0287842-A1 Curable compositions containing a Michael-addition product, their preparation and use BASF Lacke + Farben AG (DE) 1988-10-26 EP disclosed
WO-1988007555-A1 BRANCHED ACRYLATE COPOLYMERISATE WITH POLYMERIZABLE DOUBLE BONDS AND PROCESS FOR MANUFACTURE THEREOF BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1988-10-06 WO disclosed