SCHEMBL7647166

SCHEMBL7647166

COCCOCCOCC(=O)OCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 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
SCHEMBL8862969 0.98 TDP1 (0.34) TDP1TSHR
SCHEMBL8862997 0.92 TDP1 (0.37) TDP1TSHR
SCHEMBL5793031 0.81 HTT (0.39) TDP1TSHRABCB11CYP3A4ADRA2B
SCHEMBL14296185 0.81 CES2 (0.35) TDP1
SCHEMBL9275566 0.80 TSHR (0.41) TDP1TSHRCA2ABCB11CYP3A4
SCHEMBL14296184 0.79 TDP1 (0.34) TDP1
SCHEMBL2965176 0.79 GAA (0.44) TDP1TSHRABCB11CYP3A4ADRA2B
SCHEMBL5359530 0.79 GAA (0.44) TDP1TSHRABCB11CYP3A4ADRA2B
SCHEMBL4849311 0.79 GAA (0.44) TDP1TSHRABCB11CYP3A4ADRA2B
SCHEMBL12967099 0.79 GAA (0.44) TDP1TSHRABCB11CYP3A4ADRA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US claimed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US claimed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US claimed
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US disclosed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US disclosed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US disclosed