SCHEMBL6932855

SCHEMBL6932855

CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCC.CCS(=O)(=O)[O-]

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.62
SLC22A1 O15245 3/20 0.56
TSHR P16473 2/20 0.54
HIF1A Q16665 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC22A2 O15244 1/20 0.52
KCNH2 Q12809 2/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
LSS P48449 1/20 0.43

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
SCHEMBL330862 0.96 DNM1 (0.70) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL331190 0.96 DNM1 (0.70) DNM1SLC22A1TSHRHIF1AALDH1A1
Sulfuric Acid SCHEMBL11672407 0.93 DNM1 (0.65) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL330481 0.93 SLC22A1 (0.65) DNM1SLC22A1TSHRHIF1AALDH1A1
Tetrahexylammonium SCHEMBL330969 0.93 SLC22A1 (0.65) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL331695 0.93 SLC22A1 (0.65) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL330864 0.91 SLC22A1 (0.62) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11880843 0.90 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL4953573 0.90 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
Sulfuric Acid SCHEMBL11672414 0.89 DNM1 (0.60) DNM1SLC22A1TSHRHIF1AALDH1A1

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
US-6451495-B1 Toner and developer compositions with charge enhancing additives XEROX CORPORATION 2002-09-17 US claimed
US-6426170-B1 Toner and developer compositions with charge enhancing additives XEROX CORPORATION 2002-07-30 US claimed
US-5591552-A Toner combination and method and apparatus for use XEROX CORPORATION (US) 1997-01-07 US claimed
US-5364723-A Toner compositions with styrene terpene resins XEROX CORPORATION (US) 1994-11-15 US claimed
US-5114821-A Toner and developer compositions with charge enhancing additives XEROX CORPORATION (US) 1992-05-19 US claimed
US-6593049-B1 Containing charge enhancing additives, which impart or assist in imparting a negative charge to the toner resin particles and enable in embodiments toners with rapid admix characteristics XEROX CORPORATION 2003-07-15 US disclosed
US-6451495-B1 Toner and developer compositions with charge enhancing additives XEROX CORPORATION 2002-09-17 US disclosed
US-6426170-B1 Toner and developer compositions with charge enhancing additives XEROX CORPORATION 2002-07-30 US disclosed