SCHEMBL8079800

SCHEMBL8079800

C=C(COCCCCO)C(=O)OCCCCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ACHE P22303 6/20 0.35
CES2 O00748 2/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1831770 0.86 CYP4F2 (0.46) TSHRGAACYP4F2CYP4A11ACHE
SCHEMBL351573 0.84 TSHR (0.35) TSHRACHEALDH1A1CYP3A4TDP1
SCHEMBL27940590 0.82 TSHR (0.42) TSHRGAACYP4F2CYP4A11ACHE
SCHEMBL7617971 0.80 TSHR (0.48) TSHRACHECES2THRBALDH1A1
SCHEMBL351821 0.79 TDP1 (0.34) TSHRALDH1A1CYP3A4TDP1
SCHEMBL22383226 0.79 CES2 (0.31) CES2
SCHEMBL8079396 0.78 TSHR (0.40) TSHRGAACYP4F2CYP4A11ACHE
SCHEMBL8537810 0.78 TSHR (0.48) TSHRCYP4F2CYP4A11ACHETHRB
SCHEMBL22383117 0.78 CES2 (0.45) TSHRCYP4F2CYP4A11ACHECES2
SCHEMBL7622066 0.78 TSHR (0.50) TSHRACHECES2THRBALDH1A1

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 5 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