SCHEMBL7186327

SCHEMBL7186327

C=C(C)C(=O)OCCC(C)(C)OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24221990 0.93 THRB (0.43) THRBTSHRALDH1A1TDP1POLB
SCHEMBL25029911 0.88 THRB (0.42) THRBTSHRALDH1A1TDP1POLB
SCHEMBL27375761 0.86 THRB (0.41) THRBTSHRALDH1A1TDP1POLB
SCHEMBL12330817 0.86 ALDH1A1 (0.36) TSHRALDH1A1TDP1
SCHEMBL1960823 0.85 THRB (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL81164 0.83 THRB (0.47) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2248762 0.82 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL8965485 0.82 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL438464 0.82 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL8615498 0.81 THRB (0.46) THRBTSHRALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175099-B2 Living radical polymerization method using a phosphorus compound or nitrogen compound as a catalyst KYOTO UNIVERSITY (JP) 2015-11-03 US disclosed
US-6630079-B2 Bis(2- pyridinethiol-1-oxide) copper salt, does not exert any adverse influence on the storage stability or antifouling effect, and the effect of the salt does not change by the coating with an acrylic resin API CORPORATION (JP) 2003-10-07 US disclosed
EP-1080640-B1 COATED BIS(2-PYRIDINETHIOL-1-OXIDE)COPPER SALT API CORP (JP) 2003-09-10 EP disclosed
US-20030124085-A1 Coated bis (2-pyridinethiol-1-oxide) copper salt API CORPORATION (JP) 2003-07-03 US disclosed
US-6544440-B1 Antifouling active ingredient for a coating for the bottom of a ship, which is safe during handling; rosin coated; biocides API CORPORATION (JP) 2003-04-08 US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
EP-1080640-A1 COATED BIS(2-PYRIDINETHIOL 1-OXIDE) COPPER SALT Yoshitomi Fine Chemicals, Ltd. (JP) 2001-03-07 EP disclosed