SCHEMBL321325

SCHEMBL321325

C=CC(=O)OC1(C2CC3CCC2(C)C3(C)C)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
ELANE P08246 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL28825209 0.82 GAA (0.34) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL10919996 0.77 KMT2A (0.31) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL12791706 0.74 CYP3A4 (0.31) CYP2C19KMT2AMEN1MAPK1NPSR1
SCHEMBL12791684 0.74 CYP3A4 (0.31) CYP2C19KMT2AMEN1MAPK1NPSR1
SCHEMBL6545295 0.74 CYP3A4 (0.31) CYP2C19KMT2AMEN1MAPK1NPSR1
SCHEMBL12791695 0.72
SCHEMBL295710 0.72 EPHX2 (0.36) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL15778738 0.72 CYP2C19 (0.59) CYP2C19ELANEKMT2AMAPTMAPK1
SCHEMBL1185726 0.72 CYP2C19 (0.59) CYP2C19ELANEKMT2AMAPTMAPK1
SCHEMBL22902902 0.72 CYP2C19 (0.59) CYP2C19ELANEKMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130187095-A1 THERMOSETTING ADHESIVE COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2013-07-25 US claimed
EP-2588535-B1 AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2020-09-30 EP disclosed
EP-2675837-B1 ADHESIVE COMPOSITION COMPRISING GRAFTED ISOBUTYLENE COPOLYMER COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2016-04-13 EP disclosed
US-9102868-B2 Elastomer-modified crosslinked epoxy vinyl ester particles and methods for making and using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-11 US disclosed
EP-2588514-B1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2015-03-18 EP disclosed
US-8975342-B2 Blends of grafted copolymer and polyamide 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-8962767-B2 Isobutylene copolymer with grafted polymer groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-24 US disclosed
EP-2651983-B1 BLENDS OF GRAFTED COPOLYMER AND POLYAMIDE 3M INNOVATIVE PROPERTIES CO (US) 2014-12-24 EP disclosed
US-8816004-B2 Oxazolinyl-containing polymers and grafted compounds prepared from the oxazolinyl-containing polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-26 US disclosed
US-8796390-B2 Grafted compounds formed from aziridinyl-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-05 US disclosed
US-20130102731-A1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-25 US disclosed
US-20130090434-A1 AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-11 US disclosed
US-8378017-B2 Thermosetting adhesive compositions DESIGNER MOLECULES, INC. (US) 2013-02-19 US disclosed
WO-2012112303-A1 ISOBUTYLENE COPOLYMER WITH GRAFTED POLYMER GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-08-23 WO disclosed
US-20120208013-A1 ISOBUTYLENE COPOLYMER WITH GRAFTED POLYMER GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2012-08-16 US disclosed
WO-2012082487-A2 OXAZOLINYL-CONTAINING POLYMERS AND GRAFTED COMPOUNDS PREPARED FROM THE OXAZOLINYL-CONTAINING POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-21 WO disclosed
WO-2012082290-A1 BLENDS OF GRAFTED COPOLYMER AND POLYAMIDE 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-21 WO disclosed
WO-2012015857-A2 CROSSLINKED EPOXY VINYL ESTER PARTICLES AND METHODS FOR MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-02 WO disclosed
WO-2012015860-A1 ELASTOMER-MODIFIED CROSSLINKED EPOXY VINYL ESTER PARTICLES AND METHODS FOR MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-02 WO disclosed
WO-2012005814-A1 GRAFTED COMPOUNDS FORMED FROM AZIRIDINYL-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-12 WO disclosed