SCHEMBL7189835

SCHEMBL7189835

C=CC(=O)OC(=O)CC.[Zn]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 1/20 0.45
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 4/20 0.37
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
NAAA Q02083 1/20 0.32
THRA P10827 1/20 0.31
FFAR3 O14843 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
SCHEMBL466312 0.97
SCHEMBL1148669 0.95 TSHR (0.46) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL7192231 0.95 TSHR (0.46) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL7192242 0.95 TSHR (0.46) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL28289582 0.84 ALDH1A1 (0.58) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL23093934 0.82 TSHR (0.44) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL1148708 0.81 ALDH1A1 (0.61) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL28377833 0.81 TSHR (0.52) TSHRALDH1A1HPGDTP53CYP3A4
Ethane SCHEMBL16612668 0.80 TSHR (0.41) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL29243068 0.79 ALDH1A1 (0.58) TSHRALDH1A1HPGDTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501461-B Special copolymerization type PVC (polyvinyl chloride) auxiliary agent with heat stabilizer and plasticizing functions 天津科技大学 2020-04-14 CN claimed
CN-107501461-B Special copolymerization type PVC (polyvinyl chloride) auxiliary agent with heat stabilizer and plasticizing functions 天津科技大学 2020-04-14 CN 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