SCHEMBL23093044

SCHEMBL23093044

[CH2]CCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCOC(=O)OCCCCC[CH2]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
NAAA Q02083 1/20 0.38
EPHX1 P07099 1/20 0.35
ACHE P22303 6/20 0.34
LMNA P02545 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9111420 0.89 TSHR (0.46) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL1557571 0.89 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL9839017 0.86 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL4312979 0.86 TSHR (0.40) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL3118931 0.86 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL4855892 0.84 NAAA (0.55) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL4852353 0.84 NAAA (0.55) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL4856826 0.84 NAAA (0.55) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL4848050 0.84 NAAA (0.55) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL1559345 0.83 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4NAAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025616-A1 RADIOPAQUE POLYMERS FOR MEDICAL DEVICES Endoshape, Inc. (US) 2022-07-13 EP disclosed
WO-2021050474-A1 RADIOPAQUE POLYMERS FOR MEDICAL DEVICES ENDOSHAPE, INC. (US) 2021-03-18 WO disclosed