SCHEMBL8675600

SCHEMBL8675600

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
FGFR4 P22455 1/20 0.33
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
SCHEMBL27600789 0.82 TSHR (0.32) TSHR
SCHEMBL17220890 0.81
SCHEMBL18527055 0.80 TSHR (0.39) TSHRALDH1A1FGFR4
SCHEMBL21903961 0.80 TSHR (0.31) TSHR
SCHEMBL1426751 0.74 LMNA (0.35) TSHRALDH1A1
SCHEMBL18677617 0.74 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL5666057 0.73 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL28542660 0.72 TSHR (0.31) TSHR
SCHEMBL17598953 0.72 TSHR (0.36) TSHRALDH1A1FGFR4
SCHEMBL28398261 0.71 TSHR (0.36) TSHRALDH1A1FGFR4

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-5707739-A Powdered biocidal compositions SOUTHWEST RESEARCH INSTITUTE (US) 1998-01-13 US disclosed
US-5639295-A MIXING A HYDROPHILIC MATERIAL(AMINE AND BASE) AND A HYDROPHOBIC MATERIAL(ACID RELEASING AGENT), EXPOSING MIXTURE TO CHLORINE DIOXIDE YIELDS MATERIAL WHICH DECOMPOSES TO FORM A MICROBIOCIDAL CHLORITE SALT SOUTHWEST RESEARCH INSTITUTE (US) 1997-06-17 US disclosed