SCHEMBL9470604

SCHEMBL9470604

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL9651437 0.87 TGFBR1 (0.32) TGFBR1
SCHEMBL3776845 0.79 TGFBR1 (0.35) TGFBR1ALDH1A1TDP1KDM4E
Hydrochloric Acid SCHEMBL3866989 0.77 TGFBR1 (0.34) TGFBR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL327324 0.74 TGFBR1 (0.32) TGFBR1
SCHEMBL7202524 0.73 TGFBR1 (0.34) TGFBR1ALDH1A1
SCHEMBL2152590 0.72 ALDH1A1 (0.39) TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL34095 0.71 TGFBR1 (0.33) TGFBR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6845645 0.71 TSHR (0.33) TGFBR1ALDH1A1
Hydrochloric Acid SCHEMBL3334704 0.70 ALDH1A1 (0.38) TGFBR1ALDH1A1TDP1KDM4E
Bromide SCHEMBL27706629 0.70 ALDH1A1 (0.38) TGFBR1ALDH1A1TDP1KDM4E

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
US-5252103-A Pigmenting of cellulose textiles: treatment with cationic compound and immersion in aqueous pigment dispersion MATSUI SHIKISO CHEMICAL CO, LTD. (JP) 1993-10-12 US disclosed
US-5221288-A Treating cellulose fiber textile product with cationic compound, immersing in dispersion of microencapsulated thermochromic or photochromic material MATSUI SHIKISO CHEMICAL CO., LTD. (JP) 1993-06-22 US disclosed