SCHEMBL3085262

SCHEMBL3085262

O=C(OCC(O)CCCCO)c1ccc(C(=O)OCC(O)CCCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ADRB2 P07550 18/20 0.49
ADRB1 P08588 18/20 0.49
ADRB3 P13945 18/20 0.49
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL3085268 0.94 MAPT (0.51) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19591771 0.92 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3087844 0.87 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3CYP4F2
SCHEMBL17041416 0.87 ALDH1A1 (0.67) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3098911 0.85 TDP1 (0.44) ALDH1A1ADRB2ADRB1ADRB3CYP4F2
SCHEMBL8062468 0.83 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8062472 0.83 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL23926216 0.83 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL16517865 0.83 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3087849 0.82 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3CYP4F2

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-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US claimed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US claimed
US-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US disclosed
US-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US disclosed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US disclosed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US disclosed