SCHEMBL8096522

SCHEMBL8096522

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 2/20 0.35
FFAR3 O14843 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
SCHEMBL28568724 0.81 TDP1 (0.30) TDP1ALDH1A1FFAR3
SCHEMBL6412095 0.80 CES2 (0.35) TDP1ALDH1A1HSD17B10FFAR3
SCHEMBL27502108 0.79
SCHEMBL30818310 0.79 TDP1 (0.35) TDP1HSD17B10
SCHEMBL1598829 0.79 TDP1 (0.35) TDP1HSD17B10
SCHEMBL23621 0.79
SCHEMBL1667694 0.79
Butanone SCHEMBL28414393 0.78 ALDH1A1 (0.67) TDP1ALDH1A1HSD17B10FFAR3
Butanone SCHEMBL2718394 0.78
SCHEMBL2140820 0.75

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
EP-0864927-B1 Water-developable photosensitive resin composition JSR CORP (JP) 2000-12-27 EP disclosed
US-6140017-A LIGHT SENSITIVE POLYMERS FROM ALIPHATIC CONJUGATED DIENES WITH UNSATURATED MONOMER AND BLOCK COPOLYMERS WITH SULFONATE GROUPS PARTICULATE COPOLYMER (1) HAS AT LEAST ONE FUNCTIONAL GROUP SELECTED FROM THE GROUP CONSISTING OF CARBOXYL JSR CORPORATION (JP) 2000-10-31 US disclosed
EP-0864927-A1 Water-developable photosensitive resin composition JSR Corporation (JP) 1998-09-16 EP disclosed