SCHEMBL17010094

SCHEMBL17010094

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 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
SCHEMBL17010158 0.88 FDPS (0.38) FDPSTDP1
SCHEMBL17010196 0.86 FDPS (0.40) FDPS
SCHEMBL17010172 0.85 FDPS (0.42) FDPS
SCHEMBL17010095 0.83 TDP1 (0.36) TDP1
SCHEMBL1135153 0.74 TDP1 (0.36) TDP1
SCHEMBL7385936 0.73 ALDH1A1 (0.40) LMNAHSD17B10FDPSTDP1
SCHEMBL27806694 0.73 TDP1 (0.39) LMNATDP1
SCHEMBL17010197 0.73 TDP1 (0.39) LMNATDP1
SCHEMBL3232065 0.70 TDP1 (0.41) LMNATDP1
SCHEMBL17183706 0.70 TDP1 (0.36) TDP1

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
EP-3105286-A1 PROCESS FOR CURING (METH)ACRYLATE-CONTAINING UP OR VE RESIN Akzo Nobel Chemicals International B.V. (NL) 2016-12-21 EP disclosed
WO-2015121178-A1 PROCESS FOR CURING (METH)ACRYLATE-CONTAINING UP OR VE RESIN AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-08-20 WO disclosed