SCHEMBL4583515

SCHEMBL4583515

O=C1CCCN1C1(I)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.31
PIK3CD O00329 1/20 0.31
KMT2A Q03164 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
SCHEMBL8762738 0.75 ALDH1A1 (0.37) BRD4BRD2ALDH1A1LMNAPIK3CD
SCHEMBL27497138 0.75 ALDH1A1 (0.37) BRD4BRD2ALDH1A1LMNAPIK3CD
SCHEMBL2999035 0.75 BRD4 (0.41) BRD4BRD2ALDH1A1LMNAPIK3CD
SCHEMBL940971 0.73 BRD4 (0.35) BRD4BRD2ALDH1A1LMNA
SCHEMBL27661365 0.71 TSHR (0.38) BRD4BRD2ALDH1A1LMNAKMT2A
SCHEMBL28318212 0.69 ALDH1A1 (0.36) BRD4BRD2ALDH1A1LMNAKMT2A
SCHEMBL2994152 0.68 SIGMAR1 (0.56) ALDH1A1KMT2A
SCHEMBL25157210 0.68 BRD4 (0.43) BRD4BRD2ALDH1A1LMNAPIK3CD
SCHEMBL7627573 0.68 BRD4 (0.39) BRD4BRD2ALDH1A1PIK3CD
SCHEMBL7627574 0.68 BRD4 (0.34) BRD4BRD2ALDH1A1LMNAPIK3CD

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
EP-1951838-A2 COMPOSITIONS COMPRISING FLUOROOLEFINS AND USES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-06 EP disclosed
EP-1904600-A2 COMPOSITIONS COMPRISING 3,3,4,4,5,5,6,6,6-NONAFLUORO-1-HEXENE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2008-04-02 EP disclosed
WO-2007053697-A2 COMPOSITIONS COMPRISING FLUOROOLEFINS AND USES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-10 WO disclosed
EP-1773963-A1 1-ETHOXY-1,1,2,2,3,3,4,4,4-NONAFLUOROBUTANE REFRIGERANT COMPOSITIONS COMPRISING FUNCTIONALIZED ORGANIC COMPOUNDS AND USES THEREOF E.I.Du pont de nemours and company (US) 2007-04-18 EP disclosed
EP-1771527-A2 HYDROCARBON REFRIGERANT COMPOSITIONS AND USES THEREOF E.I.Du pont de nemours and company (US) 2007-04-11 EP disclosed
WO-2006130406-A2 COMPOSITIONS COMPRISING 3,3,4,4,5,5,6,6,6-NONAFLUORO-1-HEXENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-07 WO disclosed
WO-2006012095-A2 HYDROCARBON REFRIGERANT COMPOSITIONS AND USES THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-02-02 WO disclosed
WO-2006012100-A1 1-ETHOXY-1,1,2,2,3,3,4,4,4-NONAFLUOROBUTANE REFRIGERANT COMPOSITIONS COMPRISING FUNCTIONALIZED ORGANIC COMPOUNDS AND USES THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-02-02 WO disclosed