SCHEMBL3323367

SCHEMBL3323367

C=C(C)C(=O)OP(=O)(O)OC(C)N

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LAP3 P28838 3/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28383299 0.85 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL27565567 0.83 TSHR (0.38) TSHRALDH1A1
SCHEMBL2639037 0.80 TSHR (0.36) TSHRALDH1A1
SCHEMBL9276375 0.80 ALDH1A1 (0.48) TSHRALDH1A1TDP1
SCHEMBL28181305 0.76 ALDH1A1 (0.41) TSHRALDH1A1TDP1
SCHEMBL29138974 0.75 TSHR (0.35) TSHRALDH1A1
SCHEMBL5557883 0.75 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL27532365 0.74 ALDH1A1 (0.48) TSHRALDH1A1TDP1
SCHEMBL27446968 0.74 ALDH1A1 (0.42) TSHRALDH1A1TDP1
Methacrylic Acid SCHEMBL29161239 0.73 PEPD (0.39) TSHRLAP3TDP1

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-20100119854-A1 PRIMER COMPOSITION FOR ACRYLIC ADHESIVE, BONDING METHOD AND ASSEMBLY DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2010-05-13 US disclosed