SCHEMBL9861978

SCHEMBL9861978

CC(C)(C)c1cccc(C(F)(F)F)c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.77
GABRA1 P14867 1/20 0.59
GABRB2 P47870 1/20 0.59
ALOX12 P18054 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
TYR P14679 1/20 0.43
PTPN5 P54829 1/20 0.43
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
HPN P05981 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL38598 0.88 CA2 (1.00) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL396017 0.88 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL29978072 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL29189109 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Methyl Alcohol SCHEMBL28909622 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL31622310 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL28473948 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL7076174 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL22444875 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL28361779 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988061-B Purification method 罗门哈斯电子材料有限责任公司 2022-08-02 CN claimed
CN-109988061-B Purification method 罗门哈斯电子材料有限责任公司 2022-08-02 CN disclosed
CN-105503536-A Industrial preparation method of biphenol compounds with high purity JIANGMEN YOUJU NEW MAT CO LTD 2016-04-20 CN disclosed
CN-105348047-A One-step industrial synthesis method for high-purity dihydroxybiphenyl compound JIANGMEN YOUJU NEW MATERIALS CO LTD 2016-02-24 CN disclosed
CN-105330518-A Industrialized synthesis method of high-purity biphenyl diphenol compound JIANGMEN YOUJU NEW MATERIALS CO LTD 2016-02-17 CN disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed