SCHEMBL7174331

SCHEMBL7174331

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22341 0.93
SCHEMBL22921 0.83
SCHEMBL4552844 0.82 LMNA (0.34) TDP1
Acetone SCHEMBL6437285 0.80 TDP1 (0.40) TDP1
Ammonia Solution, Strong SCHEMBL28347195 0.80
Hydrochloric Acid SCHEMBL30887833 0.80
SCHEMBL14269727 0.78 ALDH1A1 (0.36) CHRM1
Decane SCHEMBL29163682 0.76 TSHR (0.47) TDP1
Propylamine SCHEMBL9017074 0.76 TDP1 (0.35) TDP1
SCHEMBL9814670 0.75 TDP1 (0.36) CHRM1TDP1

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
EP-0722110-B1 Water absorptive soft contact lens MENICON CO LTD (JP) 2003-09-17 EP disclosed