SCHEMBL3987348

SCHEMBL3987348

C=C(C)C(=O)OC(CC)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL28119311 0.85 TDP1 (0.39) TSHRALDH1A1THRBTDP1
SCHEMBL4642191 0.82 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL29011788 0.80 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL6300793 0.79 ALDH1A1 (0.39) TSHRALDH1A1THRBCA1CA2
Methylamine SCHEMBL27627991 0.79 TSHR (0.42) TSHRALDH1A1THRBTDP1
SCHEMBL6760890 0.79 TSHR (0.40) TSHRALDH1A1TDP1CA1CA2
SCHEMBL5627409 0.78 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL10243291 0.78 ALDH1A1 (0.46) TSHRALDH1A1THRBCA1CA2
SCHEMBL27847755 0.78 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL27527491 0.77 ALDH1A1 (0.40) TSHRALDH1A1THRB

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-7479514-B2 Adhesion promoting composition and method BASF CORPORATION (US) 2009-01-20 US disclosed
WO-2006041559-A1 ADHESION PROMOTING COMPOSITION AND METHOD BASF CORPORATION (US) 2006-04-20 WO disclosed
US-20060074163-A1 An adhesion promoting formulation includes a polymer, such as an acrylic copolymer, having acetoacetoxy functionality and adhesion-promoting functionality and a metal alkoxide, chelate, and/or alkoxide chelate; coating over a metal surface or coated surface; refinishing; automobiles BASF CORPORATION (US) 2006-04-06 US disclosed