SCHEMBL4888255

SCHEMBL4888255

C=C(C#N)C(=O)OCCCOCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NAAA Q02083 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 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
SCHEMBL4892534 0.97 TSHR (0.58) TSHRALDH1A1HPGDATMZDHHC20
SCHEMBL4892572 0.93 TSHR (0.58) TSHRALDH1A1HPGDATMZDHHC20
SCHEMBL28709225 0.93 TSHR (0.58) TSHRALDH1A1HPGDATMZDHHC20
SCHEMBL35575 0.93 TSHR (0.58) TSHRALDH1A1HPGDATMZDHHC20
SCHEMBL21932807 0.93 TSHR (0.58) TSHRALDH1A1HPGDATMZDHHC20
Enbucrilate SCHEMBL24796 0.93 TSHR (0.66) TSHRALDH1A1HPGDATMTHRB
SCHEMBL21932802 0.90 TSHR (0.62) TSHRALDH1A1HPGDZDHHC20THRB
Acetic Acid SCHEMBL27835388 0.89 TSHR (0.53) TSHRALDH1A1HPGDATMZDHHC20
SCHEMBL11266934 0.89 TSHR (0.56) TSHRALDH1A1ZDHHC20THRBHCAR2
Enbucrilate SCHEMBL6465405 0.88 TSHR (0.61) TSHRALDH1A1HPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
CN-105246872-B Cyanoacrylate compositions 汉高知识产权控股有限责任公司 2019-08-13 CN disclosed
CN-105246872-A Cyanoacrylate compositions Henkel US IP LLC 2016-01-13 CN disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed