SCHEMBL29350367

SCHEMBL29350367

CCCCC(=O)OC#N.[Na]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.43
CES2 O00748 2/20 0.42
DGKA P23743 1/20 0.42
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
PAM P19021 2/20 0.38
CA1 P00915 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.35

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
SCHEMBL2096732 0.98
Ammonia Solution, Strong SCHEMBL30567344 0.96 CES1 (0.43) CES1CES2DGKALMNAALDH1A1
SCHEMBL28958898 0.96 CES1 (0.43) CES1CES2DGKALMNAALDH1A1
SCHEMBL31331697 0.92 CES1 (0.40) CES1CES2DGKALMNAALDH1A1
SCHEMBL5006758 0.91 DGKA (0.52) CES1CES2DGKALMNAALDH1A1
SCHEMBL8905892 0.89 DGKA (0.55) CES1CES2DGKALMNAALDH1A1
SCHEMBL27590907 0.89 DGKA (0.55) CES1CES2DGKALMNAALDH1A1
SCHEMBL11764440 0.89 DGKA (0.55) CES1CES2DGKALMNAALDH1A1
SCHEMBL29940765 0.89 DGKA (0.55) CES1CES2DGKALMNAALDH1A1
Ammonia Solution, Strong SCHEMBL27572388 0.88 DGKA (0.53) CES1CES2DGKALMNAALDH1A1

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-113954398-A Method for preventing corrosion in large-scale waste animal and vegetable oil carbon steel storage tank 江西尊创新能源有限公司 2022-01-21 CN claimed
CN-113954398-B Method for preventing corrosion in large-scale waste animal and vegetable oil carbon steel storage tank 江西尊创新能源有限公司 2023-09-19 CN disclosed
CN-113954398-A Method for preventing corrosion in large-scale waste animal and vegetable oil carbon steel storage tank 江西尊创新能源有限公司 2022-01-21 CN disclosed