SCHEMBL838906

SCHEMBL838906

OC(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CPA1 P15085 1/20 0.46
CYP1A2 P05177 2/20 0.45
EPHX1 P07099 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPA1 O75762 2/20 0.44
CETP P11597 2/20 0.43
CES1 P23141 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ACE P12821 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
Acetic Acid SCHEMBL28858955 0.90 ALPI (0.48) CPA1CYP1A2CYP2C9CYP2C19CES1
SCHEMBL837930 0.78 MMP13 (0.47) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL9668628 0.78 MMP13 (0.47) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL20730082 0.78 CYP4F2 (0.43) CETP
SCHEMBL6473879 0.77 TRPA1 (0.52) CYP1A2EPHX1TRPA1SLC6A2TAAR1
SCHEMBL6478746 0.77 TRPA1 (0.52) CYP1A2EPHX1TRPA1SLC6A2TAAR1
SCHEMBL9421889 0.77 TRPA1 (0.48) CYP1A2EPHX1TRPA1ALPIPKM
SCHEMBL6473888 0.77 TRPA1 (0.52) CYP1A2EPHX1TRPA1SLC6A2TAAR1
SCHEMBL27577413 0.77 CYP1A2 (0.64) CYP1A2EPHX1CYP2C9CYP2C19TRPA1
SCHEMBL7256073 0.77 EPHX1 (0.44) MEN1KMT2ACPA1CYP1A2EPHX1

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106399398-B Biological preparation method of (R) -3, 5-bis (trifluoromethyl) phenethyl alcohol 上海医药工业研究院 2024-07-09 CN claimed
CN-112771107-A Curable fluoro-elastomer composites and cured products thereof 3M创新有限公司 2021-05-07 CN claimed
CN-107418980-B Clean production method of R-3, 5-bis (trifluoromethyl) phenethyl alcohol 义乌市欣邦生物科技有限公司 2020-06-09 CN claimed
CN-107976502-A Method for detecting (R) -3, 5-bis (trifluoromethyl) phenethyl alcohol chiral isomer 中山奕安泰医药科技有限公司 2018-05-01 CN claimed
CN-107941932-A Detection method of (R) -3, 5-bis (trifluoromethyl) phenethyl alcohol 中山奕安泰医药科技有限公司 2018-04-20 CN claimed
CN-107418980-A A kind of clean preparation method of the bis trifluoromethyl benzyl carbinols of R 3,5 义乌市欣邦生物科技有限公司 2017-12-01 CN claimed
US-9616459-B1 Polymeric coatings for fortification of visible, infrared, and laser optical devices LOCKHEED MARTIN CORPORATION (US) 2017-04-11 US claimed
EP-0332392-B1 Dioxane liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1994-12-07 EP claimed
US-5194179-A LIQUID CRYSTAL COMPOUNDS SHOWA SHELL SEKIYU K.K. (JP) 1993-03-16 US claimed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 EP claimed
EP-0330491-A2 Novel liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-08-30 EP claimed
EP-0327349-A2 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-08-09 EP claimed
CN-106399398-B Biological preparation method of (R) -3, 5-bis (trifluoromethyl) phenethyl alcohol 上海医药工业研究院 2024-07-09 CN disclosed
CN-106399398-B Biological preparation method of (R) -3, 5-bis (trifluoromethyl) phenethyl alcohol 上海医药工业研究院 2024-07-09 CN disclosed
CN-117778341-A Immobilized carbonyl reductase based on protein tag self-assembly and application of immobilized carbonyl reductase in continuous catalysis preparation of aprepitant intermediate 浙江工业大学 2024-03-29 CN disclosed
CN-114774379-A Carbonyl reductase mutant with improved thermal stability 中国科学院成都生物研究所 2022-07-22 CN disclosed
US-5171471-A Having wide range of phase transition temperatures for faster optical response times SHOWA SHELL SEKIYU K.K. (JP) 1992-12-15 US disclosed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 EP disclosed
EP-0330491-A2 Novel liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-08-30 EP disclosed
EP-0327349-A2 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-08-09 EP disclosed