SCHEMBL3776845

SCHEMBL3776845

C=C(C)C(=O)N[N+](C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.31

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
Hydrochloric Acid SCHEMBL3866989 0.98 TGFBR1 (0.34) TGFBR1ALDH1A1KDM4E
SCHEMBL18040136 0.83
SCHEMBL34095 0.83 TGFBR1 (0.33) TGFBR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7945238 0.81 TSHR (0.32) TGFBR1ALDH1A1KDM4E
SCHEMBL9470604 0.79 TGFBR1 (0.36) TGFBR1ALDH1A1KDM4ETDP1
SCHEMBL5461471 0.77
SCHEMBL2773074 0.77 TSHR (0.41)
SCHEMBL6222153 0.77 TSHR (0.41)
SCHEMBL2152590 0.75 ALDH1A1 (0.39) TGFBR1ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL4102058 0.75 TSHR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1693352-B1 SURFACTANT COMPOSITION KAO CORP (JP) 2016-03-23 EP disclosed
US-7846876-B2 Surfactant composition KAO CORPORATION (JP) 2010-12-07 US disclosed
US-20080058227-A1 Surfactant Composition KAO CORPORATION (JP) 2008-03-06 US disclosed
EP-1693352-A1 SURFACTANT COMPOSITION Kao Corporation (JP) 2006-08-23 EP disclosed