SCHEMBL8399531

SCHEMBL8399531

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.32
TSHR P16473 3/20 0.31
TGFBR1 P36897 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
SCHEMBL3385552 0.78 TDP1 (0.36) TDP1ALDH1A1TSHRTGFBR1
SCHEMBL725816 0.76 TDP1 (0.35) TDP1ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL31387077 0.74 THRB (0.34) TDP1ALDH1A1THRBTSHR
SCHEMBL27597714 0.71 FFAR3 (0.37) TDP1ALDH1A1TSHR
SCHEMBL1269468 0.69 ALDH1A1 (0.41) TDP1ALDH1A1TSHR
Bromide SCHEMBL6053785 0.67 ALDH1A1 (0.39) TDP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3912931 0.67 ALDH1A1 (0.39) TDP1ALDH1A1TSHR
SCHEMBL10426861 0.67
Methacrylic Acid SCHEMBL1713812 0.67 TSHR (0.39) TDP1ALDH1A1THRBTSHRTGFBR1
Tetrylammonium SCHEMBL7211983 0.67 TSHR (0.44) TDP1ALDH1A1THRBTSHRTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479782-A Visible light-cured orthodontic adhesive SCIENTIFIC PHARMACEUTICALS, INC. (US) 1984-10-30 US claimed
US-5925689-A CROSSLINKABLE RESIN OF FURFURYL METHACRYLATE AND TETRAHYDRO DERIVATIVE SCIENTIFIC PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-4479782-A Visible light-cured orthodontic adhesive SCIENTIFIC PHARMACEUTICALS, INC. (US) 1984-10-30 US disclosed