SCHEMBL19971910

SCHEMBL19971910

C=C(C)C(=O)CCC(N)OCCOC(N)CCC(=O)C(=C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 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
SCHEMBL18124258 0.79 TDP1 (0.36) TDP1TSHR
SCHEMBL10187392 0.72 GSR (0.56) TSHR
SCHEMBL12587298 0.70 CA1 (0.54) TDP1TSHR
SCHEMBL12587345 0.69 TSHR (0.38) TSHR
Hydrochloric Acid SCHEMBL5585832 0.69 BBOX1 (0.34) TDP1
SCHEMBL17211862 0.69 ALDH1A1 (0.45) TDP1TSHR
SCHEMBL21078232 0.69 TDP1 (0.32) TDP1TSHR
SCHEMBL15759387 0.68 TDP1 (0.44) TDP1TSHR
SCHEMBL92114 0.66
SCHEMBL8825039 0.66

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
US-20180079886-A1 PULVERULENT MIXTURES CONTAINING LOW-EMISSION NITRILE RUBBERS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-22 US claimed