SCHEMBL8849900

SCHEMBL8849900

C=CC(=O)OCCc1cc(C(=O)O)ccc1C(=O)OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
MGLL Q99685 5/20 0.35
DHFR P00374 1/20 0.34

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
SCHEMBL8849903 0.94 DHFR (0.35) THRBMGLLDHFR
SCHEMBL10868118 0.86 THRB (0.44) THRB
SCHEMBL7659123 0.84 ALDH1A1 (0.49) MGLLDHFR
SCHEMBL2320779 0.83 THRB (0.48) THRB
SCHEMBL8849108 0.81 DHFR (0.41) THRBMGLLDHFR
SCHEMBL8766571 0.81 DHFR (0.40) MGLLDHFR
SCHEMBL8849105 0.78 DHFR (0.42) THRBMGLLDHFR
SCHEMBL28652679 0.78 TSHR (0.48) THRBMGLLDHFR
SCHEMBL4887674 0.78 DHFR (0.43) MGLLDHFR
SCHEMBL8849141 0.77 ALDH1A1 (0.51) THRBDHFR

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-0593769-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1997-10-22 EP disclosed
US-5541258-A CROSSLINKED ACRYLATE COPOLYMER RUBBERS WITH CARBOXY GROUPS AND EPOXY GROUPS NIPPON ZEON CO., LTD. (JP) 1996-07-30 US disclosed
EP-0594854-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1996-05-29 EP disclosed
EP-0594854-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-05-04 EP disclosed
EP-0593769-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-04-27 EP disclosed