SCHEMBL3367136

SCHEMBL3367136

CC(C)(C)c1cccc(C(C)(C)C)c1OC[AlH2]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAMPT P43490 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
NLRP3 Q96P20 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
Hydrochloric Acid SCHEMBL28336908 0.98 CA2 (0.41) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL8600022 0.78 CA2 (0.43) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL5968095 0.78 CA2 (0.48) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
Hydrochloric Acid SCHEMBL727581 0.77 CA2 (0.41) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL27511682 0.77 ALDH1A1 (0.47) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL6473114 0.75 CA2 (0.40) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL27934690 0.75 ALDH1A1 (0.46) CA2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL2855727 0.75 CA2 (0.48) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL30208634 0.74 CA2 (0.39) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1
SCHEMBL8905547 0.74 CA2 (0.39) CA2ALDH1A1KDM4ESMN1; SMN2GABRA1

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
EP-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1578806-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2013-05-22 EP claimed
EP-1761574-B1 POLYMERIZATION PROCESS USING HYDROFLUOROCARBONS EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1572753-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1572751-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2010-06-23 EP claimed
CN-1972974-B polymerization process using hydrofluorocarbons EXXONMOBIL CHEM PATENTS INC 2010-05-12 CN claimed
CN-1972974-A Polymerization process using hydrofluorocarbons EXXONMOBIL CHEM PATENTS INC (US) 2007-05-30 CN claimed