SCHEMBL7765016

SCHEMBL7765016

C=C(C)C(=O)OC(C)NC(C)N

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9321911 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL2993463 0.83 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL11222542 0.82 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL16295841 0.82 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4948163 0.77 TSHR (0.41) ALDH1A1TSHR
SCHEMBL21990616 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL3281738 0.77 TSHR (0.41) ALDH1A1TSHR
SCHEMBL3966601 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL202767 0.77 ALDH1A1 (0.48) ALDH1A1TSHRTDP1
SCHEMBL111244 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955510-A Acrylic polymers for inkjet ink applications 卡博特公司 2021-06-11 CN disclosed
WO-2001023471-A1 HEAT STABLE ARTICLE, LATEX COMPOSITION, AND METHOD OF MAKING THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO disclosed