SCHEMBL6428686

SCHEMBL6428686

O=C(O)C1(C(=O)O)C=CC=C(c2ccccc2)C1(O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMO O15229 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MGLL Q99685 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
SCHEMBL22429 0.82 THRB (0.32) THRBTDP1KMOAKR1C1MGLL
SCHEMBL30924492 0.77 ALDH1A1 (0.32)
SCHEMBL16411907 0.76
SCHEMBL15954933 0.67 MEN1 (0.31)
SCHEMBL27976531 0.66 THRB (0.34) THRBTDP1KMOAKR1C1
SCHEMBL28667586 0.65 THRB (0.33) THRBTDP1
SCHEMBL27599522 0.63 AKR1C1 (0.34) THRBTDP1KMOAKR1C1
Hydrochloric Acid SCHEMBL7518258 0.63 ALDH1A1 (0.33)
SCHEMBL28007432 0.63
SCHEMBL17262675 0.62 THRB (0.31) THRBTDP1KMOAKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225978-B1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS INVISTA TECH SARL (US) 2005-03-16 EP claimed
EP-1216268-A1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-26 EP claimed
WO-2001021684-A1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO claimed
EP-3148690-A2 DESIGN, SYNTHESIS AND CHARACTERIZATION OF METAL ORGANIC FRAMEWORKS King Abdullah University Of Science And Technology (SA) 2017-04-05 EP disclosed