SCHEMBL28218949

SCHEMBL28218949

C=C(C#N)C(=O)O.C=CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2037957 0.83 ALOX15 (0.36) ALDH1A1ALOX15HSD17B10CYP2D6
SCHEMBL27838646 0.81 ALDH1A1 (0.45) ALDH1A1TSHRALOX15HSD17B10
SCHEMBL8646193 0.81 TDP1 (0.48) ALDH1A1TSHRALOX15HSD17B10CYP2D6
Butadiene SCHEMBL27890137 0.80 ALDH1A1 (0.37) ALDH1A1TSHRALOX15HSD17B10
Water SCHEMBL4563847 0.79
Water SCHEMBL27627574 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL20472689 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
Water SCHEMBL21525772 0.79
SCHEMBL10422 0.79
Acrylonitrile SCHEMBL2578377 0.78 ALDH1A1 (0.45) ALDH1A1TSHRALOX15CYP2D6

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-105189679-B hot melt adhesive comprising cyanoacrylate curing compounds 汉高股份有限及两合公司 2018-06-05 CN disclosed