O-Xylene

O-Xylene

SCHEMBL27639892

Cc1ccccc1C.[SiH3]Oc1ccccc1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ACHE P22303 3/20 0.53
CA4 P22748 1/20 0.43
LTA4H P09960 2/20 0.41
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ESR1 P03372 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNA3 P22001 1/20 0.35
DRD3 P35462 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL222149 0.86
SCHEMBL9005962 0.83
Water SCHEMBL27842141 0.83
Hydrochloric Acid SCHEMBL7626638 0.83 LTA4H (0.50) TSHRCA4LTA4HALDH1A1CA1
SCHEMBL9005960 0.83
Dimethylamine SCHEMBL28239734 0.81 TSHR (0.46) TSHRCA4LTA4HKCNA3CA5A
Trimethylammonium SCHEMBL27867314 0.81 CA4 (0.46) TSHRCA4LTA4HLMNAALDH1A1
Butane SCHEMBL15859328 0.79 LTA4H (0.45) TSHRCA4LTA4HKCNA3
Diphenylether SCHEMBL9363545 0.78 LTA4H (0.71) TSHRACHECA4LTA4HLMNA
O-Xylene SCHEMBL27588184 0.77 TSHR (0.67) TSHRACHECA4LMNAALOX12

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
CN-109715680-A The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series 株式会社普利司通 2019-05-03 CN claimed
CN-109715680-A The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series 株式会社普利司通 2019-05-03 CN disclosed
CN-100535054-C Silica film forming material, silica film and preparation method thereof FUJITSU LTD (JP) 2009-09-02 CN disclosed
CN-1891757-A Silica film forming material, silica film and method of manufacturing the same FUJITSU LTD (JP) 2007-01-10 CN disclosed