SCHEMBL6930320

SCHEMBL6930320

C=CC(=O)OCCCC.C=Cc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.54
▸ APP P05067 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ THRB P10828 3/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ STS P08842 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
Styrene SCHEMBL28887747 0.81 TSHR (0.67) TSHRHPGDTDP1APPALDH1A1
Styrene SCHEMBL3696057 0.81 TSHR (0.67) TSHRHPGDTDP1APPALDH1A1
Styrene SCHEMBL3196230 0.81 TSHR (0.67) TSHRHPGDTDP1APPALDH1A1
Styrene SCHEMBL67823 0.81 TSHR (0.67) TSHRHPGDTDP1APPALDH1A1
Styrene SCHEMBL1085645 0.80 TSHR (0.50) TSHRHPGDTDP1APPALDH1A1
Sulfuric Acid SCHEMBL28295948 0.79 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
Styrene SCHEMBL4798421 0.79 TSHR (0.63) TSHRHPGDTDP1APPALDH1A1
Styrene SCHEMBL3111143 0.79 TSHR (0.63) TSHRHPGDTDP1APPALDH1A1
SCHEMBL15638611 0.79 TSHR (0.63) TSHRHPGDTDP1APPALDH1A1
Styrene SCHEMBL28311085 0.79 TSHR (0.63) TSHRHPGDTDP1APPALDH1A1

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
US-6559255-B2 Using nitrone compound as controller SYMYX TECHNOLOGIES INC. 2003-05-06 — — US disclosed
US-20020013430-A1 Controlled free radical emulsion and water-based polymerizations and seeded methodologies FREESLATE, INC. 2002-01-31 — — US disclosed
EP-1165625-A1 CONTROLLED FREE RADICAL EMULSION AND WATER-BASED POLYMERIZATIONS AND SEEDED METHODOLOGIES Symyx Technologies, Inc. (US) 2002-01-02 — — EP disclosed
WO-2000053640-A1 CONTROLLED FREE RADICAL EMULSION AND WATER-BASED POLYMERIZATIONS AND SEEDED METHODOLOGIES SYMYX TECHNOLOGIES, INC. (US) 2000-09-14 — — WO disclosed
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