SCHEMBL7743476

SCHEMBL7743476

CC1(C)CCCC(C)(C)N1OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL14674194 0.89 CHEK1 (0.35) TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9865161 0.80 TSHR (0.44) TSHRNFKB1CYP2C19GAA
SCHEMBL986872 0.80 TSHR (0.41) TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL9791511 0.78 TSHR (0.41) TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11093396 0.78 TSHR (0.38) TSHRNFKB1CYP2C19GAA
SCHEMBL6013599 0.77 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL6013597 0.77 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL8308600 0.77 TSHR (0.37) TSHRNFKB1CYP2C19GAA
SCHEMBL195275 0.77 TSHR (0.37) TSHRNFKB1CYP2C19GAA
SCHEMBL24697575 0.75 TSHR (0.36) TSHRNFKB1CYP2C19SMN1; SMN2

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
CN-103421210-B Dimethylhydrazine-type stabilizer and stabilizer composition FDC LEES CHEMICAL INDUSTRY CO LTD 2015-03-18 CN disclosed
CN-103421210-A Dimethylhydrazine-type stabilizer and stabilizer composition FDC LEES CHEMICAL INDUSTRY CO LTD 2013-12-04 CN disclosed
JP-2001131339-A RUBBER COMPOSITION ASAHI DENKA KOGYO KK 2001-05-15 JP disclosed