SCHEMBL2455808

SCHEMBL2455808

CC(C)NC(C)C.CC(C)NC(C)C.N#CCCP

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL297153 0.78
SCHEMBL27864231 0.77 TSHR (0.50) TDP1TSHRALDH1A1
SCHEMBL6891504 0.75 TDP1 (0.35) TDP1TSHR
SCHEMBL602024 0.75 TDP1 (0.35) TDP1TSHR
Hydrochloric Acid SCHEMBL23362774 0.74
Hydrochloric Acid SCHEMBL28881411 0.74
Bromide SCHEMBL11219310 0.74
SCHEMBL8328895 0.73 TDP1 (0.38) TDP1TSHRALDH1A1
SCHEMBL2526766 0.71 TSHR (0.34) TDP1TSHRALDH1A1
SCHEMBL27287322 0.70 TSHR (0.48) TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053258-A1 COMBINATORIAL LIBRARY, A METHOD FOR PREPARATION OF THAT COMBINATORIAL LIBRARY, A METHOD FOR SEQUENCE IDENTIFICATION, A METHOD FOR SEQUENCING THE ELEMENTS OF COMBINATORIAL LIBRARIES OF OLIGONUCLEOTIDES AND/OR OLIGONUCLEOTIDE ANALOGUES, THE USE OF A LINKER TO GENERATE COMBINATORIAL LIBRARIES AND A SEQUENCE IDENTIFICATION SET INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2013-02-28 US disclosed
EP-2550368-A1 A COMBINATORIAL LIBRARY, A METHOD FOR PREPARATION OF THAT COMBINATORIAL LIBRARY, A METHOD FOR SEQUENCE IDENTIFICATION, A METHOD FOR SEQUENCING THE ELEMENTS OF COMBINATORIAL LIBRARIES OF OLIGONUCLEOTIDES AND/OR OLIGONUCLEOTIDE ANALOGUES, THE USE OF A LINKER TO GENERATE COMBINATORIAL LIBRARIES AND A SEQUENCE IDENTIFICATION SET Instytut Chemii Bioorganicznej PAN (PL) 2013-01-30 EP disclosed
WO-2011119057-A1 A COMBINATORIAL LIBRARY, A METHOD FOR PREPARATION OF THAT COMBINATORIAL LIBRARY, A METHOD FOR SEQUENCE IDENTIFICATION, A METHOD FOR SEQUENCING THE ELEMENTS OF COMBINATORIAL LIBRARIES OF OLIGONUCLEOTIDES AND/OR OLIGONUCLEOTIDE ANALOGUES, THE USE OF A LINKER TO GENERATE COMBINATORIAL LIBRARIES AND A SEQUENCE IDENTIFICATION SET INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2011-09-29 WO disclosed
WO-1990007520-A1 OXYSTERYLE PHOSPHATES, THEIR SYNTHESIS AND USE AS PHARMACEUTICAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1990-07-12 WO disclosed