Vinyl Chloride

Vinyl Chloride

SCHEMBL9467848

C=C(O)C(=O)OCCCC.C=CCl.C=COC(C)=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.38
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NAAA Q02083 1/20 0.31
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RAD52 P43351 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
Vinyl Chloride SCHEMBL5481791 0.91 TSHR (0.37) TSHRALDH1A1HPGDHCAR2THRB
Vinyl Chloride SCHEMBL109032 0.84 GLO1 (0.38) TSHRALDH1A1HCAR2THRBNPSR1
SCHEMBL6744183 0.84 TSHR (0.64) TSHRALDH1A1HPGDATMHCAR2
Vinyl Chloride SCHEMBL28048539 0.82 TSHR (0.69) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL8853421 0.82 TSHR (0.47) TSHRALDH1A1HPGDATMHCAR2
Acrylic Acid SCHEMBL1092200 0.81 TSHR (0.63) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL28238053 0.81 ALDH1A1 (0.53) TSHRALDH1A1HPGDATMHCAR2
Acetic Acid Butyl Ester SCHEMBL17797769 0.81 ALDH1A1 (0.69) TSHRALDH1A1HPGDATMHCAR2
Propene SCHEMBL28322950 0.81 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL198128 0.80 TSHR (0.59) TSHRALDH1A1HPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200451-A Polymer and stabilizer mixture for use in coatings and adhesives WRIGHTLINE CHEMICAL CORPORATION (US) 1993-04-06 US disclosed