SCHEMBL23429951

SCHEMBL23429951

O=C(O)CCCCCCCCCCCCCCCC(CCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GSTK1 Q9Y2Q3 2/20 0.44
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GPR84 Q9NQS5 2/20 0.40
ENPEP Q07075 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL23429939 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429911 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429930 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429903 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429908 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429936 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429924 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429940 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429918 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL23429922 1.00 LMNA (0.46) LMNATSHRNFKB1PMP22GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130031-A1 Thermoplastic Polyurethane Compositions Comprising Nitro-Substituted Polyester Diols NOVOLOOP INC (US) 2023-04-27 US disclosed
CN-115843302-A Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 CN disclosed
EP-4118126-A1 POLYMERIZABLE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS Novoloop, Inc. (US) 2023-01-18 EP disclosed
EP-4118131-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS Novoloop, Inc. (US) 2023-01-18 EP disclosed
WO-2021183883-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS BIOCELLECTION INC. (US) 2021-09-16 WO disclosed
WO-2021183891-A1 POLYMERIZABLE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS BIOCELLECTION INC. (US) 2021-09-16 WO disclosed
US-20210284793-A1 POLYMERIZABLE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS BIOCELLECTION INC. (US) 2021-09-16 US disclosed
US-11111334-B1 Polymerizable compositions comprising nitro substituted polyester diols BIOCELLECTION INC. (US) 2021-09-07 US disclosed
US-11028217-B1 Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols BIOCELLECTION INC. (US) 2021-06-08 US disclosed