SCHEMBL8675599

SCHEMBL8675599

C=C(NC(=O)C(=C)C(C)C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL15080638 0.79 TDP1 (0.32) TDP1
SCHEMBL15080637 0.77 TDP1 (0.38) TDP1
SCHEMBL4754573 0.75 TDP1 (0.52) TDP1
SCHEMBL8005600 0.74 TDP1 (0.36) TDP1
SCHEMBL15071 0.73
SCHEMBL8374026 0.72
SCHEMBL5821487 0.71
Ammonia Solution, Strong SCHEMBL8366319 0.71
Methylamine SCHEMBL3405726 0.71 TDP1 (0.45) TDP1
SCHEMBL30002860 0.71

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