SCHEMBL8471995

SCHEMBL8471995

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
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
Methacrylic Acid SCHEMBL30397989 0.70 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL5679366 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL49112 0.67
SCHEMBL3046723 0.64 TDP1 (0.44) ALDH1A1TDP1
SCHEMBL21081783 0.64 TDP1 (0.44) ALDH1A1TDP1
SCHEMBL6751741 0.64
SCHEMBL4535974 0.63
SCHEMBL14541957 0.63
SCHEMBL21915779 0.62 ALDH1A1 (0.42) ALDH1A1
SCHEMBL75764 0.62

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
US-5998091-A COPOLYMER OF A MONOFUNCTIONAL MACROMONOMER HAVING A PARTICULAR POLYMERIZABLE DOUBLE BOND-CONTAINING GROUP SITUATED AT ONLY ONE END OF THE MAIN CHAIN, A QUATERNARY AMMONIUM SALT AND AN AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1999-12-07 US disclosed