SCHEMBL8079396

SCHEMBL8079396

C=C(CCl)C(=O)OCCCCO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ACHE P22303 6/20 0.40
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
GAA P10253 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
SCHEMBL3986240 0.94 TSHR (0.37) TSHRACHEALDH1A1CYP3A4
SCHEMBL2023881 0.85 TSHR (0.41) TSHRACHE
SCHEMBL2023626 0.85 TSHR (0.38) TSHRACHEALDH1A1CYP3A4GAA
SCHEMBL8537810 0.84 TSHR (0.48) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL27940590 0.83 TSHR (0.42) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL3792860 0.82 TSHR (0.61) TSHRACHEALDH1A1CYP3A4
SCHEMBL8536455 0.82 TSHR (0.52) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL5484676 0.80 TSHR (0.53) TSHRACHEALDH1A1TDP1
SCHEMBL1375008 0.79 TSHR (0.42) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL1547902 0.78 TSHR (0.39) TSHRACHEALDH1A1CYP3A4POLB

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
EP-0675885-B1 NOVEL RING OPENING MONOMERS COMMW SCIENT IND RES ORG (AU) 2000-09-06 EP disclosed
US-5665839-A Ring opening monomers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-09-09 US disclosed
EP-0675885-A4 1995-10-25 EP disclosed
EP-0675885-A1 NOVEL RING OPENING MONOMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-10-11 EP disclosed
WO-1994014792-A1 NOVEL RING OPENING MONOMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-07-07 WO disclosed
US-5248717-A Hydroxy-functional polyester diluents as additives in coating compositions THE SHERWIN-WILLIAMS COMPANY (US) 1993-09-28 US disclosed