SCHEMBL7944922

SCHEMBL7944922

C=C(C)C(=O)OCCOC(=O)C1CCC(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 4/20 0.37
CA1 P00915 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL18116188 0.78 CYP4F2 (0.32) CA1CYP4F2CYP4A11CA9
SCHEMBL14403409 0.78 CYP1A2 (0.44) ALDH1A1TSHRCYP4F2CYP4A11TDP1
SCHEMBL450807 0.77 CYP4F2 (0.51) ALDH1A1CA1CYP4F2CYP4A11CA9
SCHEMBL445031 0.75 ALDH1A1 (0.58) THRBALDH1A1TSHRCA1CA9
SCHEMBL12124127 0.73 ALDH1A1 (0.36) THRBALDH1A1TSHRPOLBAPEX1
SCHEMBL2785959 0.73 THRB (0.53) THRBALDH1A1TSHRCA1CA2
SCHEMBL7166144 0.73 CA1 (0.42) CA1CA9
SCHEMBL25674609 0.72 THRB (0.42) THRBALDH1A1TSHRCA1CA2
SCHEMBL16213961 0.72 CYP4F2 (0.33) CA1CYP4F2CYP4A11CA9
SCHEMBL208911 0.72 THRB (0.52) THRBALDH1A1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258895-B1 Polymers having spiro orthoester groups, process of manufacturing and using THE PROCTER & GAMBLE COMPANY 2001-07-10 US disclosed
EP-0575667-B1 Process for the manufacture of polymers having spiro orthoester groups, the polymers obtained and their use PROCTER & GAMBLE (US) 2000-03-08 EP disclosed
EP-0575667-A1 Process for the manufacture of polymers having spiro orthoester groups, the polymers obtained and their use THE PROCTER & GAMBLE COMPANY (US) 1993-12-29 EP disclosed