SCHEMBL13685153

SCHEMBL13685153

Cc1cccc(OCCl)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.56
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6205320 0.82 ALDH1A1 (0.52) MEN1KMT2AKDM4ELMNARAB9A
SCHEMBL5929458 0.82 HTR1B (0.71) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL8220927 0.80 HTR1B (0.58) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL2090752 0.80 HTR1B (0.58) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL2090753 0.78 HTR1B (0.56) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL293595 0.78 HTR1B (0.56) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL13684688 0.78 HTR1B (0.56) HTR1BMAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL25217006 0.77 HTR1B (0.55) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL7216294 0.77 HTR1B (0.65) HTR1BMAPTMEN1KMT2AKDM4E
SCHEMBL22182755 0.77 HTR1B (0.55) HTR1BMAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288752-A1 ADDITIVE FOR OVERCHARGE PREVENTING OF SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY INCLUDING THE SAME SAMSUNG CORNING PRECISION MATERIALS CO., LTD. 2012-11-15 US claimed
EP-2523247-A1 Additive for overcharge preventing of secondary battery and non-aqueous electrolyte for secondary battery including the same Samsung Corning Precision Materials Co., Ltd. (KR) 2012-11-14 EP claimed
US-20120288752-A1 ADDITIVE FOR OVERCHARGE PREVENTING OF SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY INCLUDING THE SAME SAMSUNG CORNING PRECISION MATERIALS CO., LTD. 2012-11-15 US disclosed