Trifluoromethylbenzene

Trifluoromethylbenzene

SCHEMBL28170271

FC(F)(F)c1ccccc1.O=C(c1ccccc1)C(O)(CO)c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CES2 O00748 2/20 0.44
LMNA P02545 1/20 0.43
PDPK1 O15530 2/20 0.42
HSD11B1 P28845 1/20 0.42
SRD5A2 P31213 2/20 0.41
P2RX1 P51575 1/20 0.41
PTPN1 P18031 1/20 0.41
MAOB P27338 2/20 0.41
KCNK3 O14649 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 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
SCHEMBL36374 0.91 CES1 (0.48) CES1ALDH1A1TSHRCES2PTPN1
Trifluoromethanesulfonic Acid SCHEMBL503620 0.85 CES1 (0.46) CES1NPC1RAB9ACES2LMNA
Methoxymethane SCHEMBL36098 0.84 CES1 (0.56) CES1ALDH1A1TSHRCES2LMNA
SCHEMBL11057570 0.81 CES1 (0.45) CES1ALDH1A1TSHRNPC1RAB9A
SCHEMBL8768398 0.81 CES1 (0.41) CES1NPC1RAB9ALMNAPTPN1
SCHEMBL452944 0.80 HSD11B1 (0.40) CES1ALDH1A1RAB9AHSD11B1
Ether SCHEMBL5403863 0.80 CES1 (0.47) CES1ALDH1A1NPC1CES2LMNA
SCHEMBL8329073 0.79 CES1 (0.46) CES1ALDH1A1TSHRLMNA
SCHEMBL27612829 0.79 SMN1; SMN2 (0.50) CES1ALDH1A1TSHRNPC1RAB9A
SCHEMBL21874985 0.78 CES1 (0.39) CES1LMNAHSD11B1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104823264-B Imprint method and curable composition for imprint 佳能株式会社 2018-04-17 CN disclosed
CN-104737271-B The manufacture method of Photocurable composition and film 佳能株式会社 2018-04-10 CN disclosed
CN-103930448-B Photocurable composition and the patterning method using the Photocurable composition 佳能株式会社 2017-11-17 CN disclosed
CN-107251193-A Nanoimprint liquid material, method for producing pattern of cured product, method for producing optical component, and method for producing circuit board 佳能株式会社 2017-10-13 CN disclosed
CN-105009256-B Photonasty gas producing agent and Photocurable composition 佳能株式会社 2017-09-15 CN disclosed