SCHEMBL28079759

SCHEMBL28079759

CCCC(C)(C)OC(=O)Cl.O=C(O)Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
FDPS P14324 1/20 0.31
TP53 P04637 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
SCHEMBL14245614 0.96 LMNA (0.38) LMNAHSD17B10TSHRALDH1A1GAA
SCHEMBL609525 0.79 LMNA (0.39) LMNAHSD17B10ALDH1A1GAAFDPS
Hydrochloric Acid SCHEMBL11627695 0.77 LMNA (0.38) LMNAHSD17B10ALDH1A1GAAFDPS
SCHEMBL6620812 0.77 GAA (0.34) LMNAHSD17B10TSHRALDH1A1GAA
SCHEMBL609524 0.77 LMNA (0.40) LMNAHSD17B10TSHRALDH1A1GAA
SCHEMBL213107 0.77 LMNA (0.40) LMNAHSD17B10TSHRALDH1A1GAA
SCHEMBL3290255 0.77
SCHEMBL213108 0.76 LMNA (0.36) LMNAHSD17B10ALDH1A1GAA
SCHEMBL1579162 0.75 GAA (0.50) LMNAHSD17B10TSHRALDH1A1GAA
SCHEMBL4445937 0.75 LMNA (0.39) LMNAHSD17B10ALDH1A1GAAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683155-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2016-06-15 CN disclosed