SCHEMBL28652020

SCHEMBL28652020

C=CC(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
TGM2 P21980 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6437132 1.00 THRB (0.37) THRBTGM2ALDH1A1TSHRMAPK1
SCHEMBL21943739 0.98 TGM2 (0.35) THRBTGM2ALDH1A1TSHRMAPK1
SCHEMBL22635787 0.73 TSHR (0.39) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL21409812 0.73 TSHR (0.39) TGM2ALDH1A1TSHRMAPK1TDP1
Acrylic Acid SCHEMBL28987257 0.72 LMNA (0.56) THRBALDH1A1TSHRCA1CA2
SCHEMBL3672674 0.72
Acrylic Acid SCHEMBL28233570 0.72 LMNA (0.56) THRBALDH1A1TSHRCA1CA2
Perflexane SCHEMBL30667525 0.72 LMNA (0.56) THRBALDH1A1TSHRCA1CA2
SCHEMBL11043010 0.71 THRB (0.41) THRBCA1CA2MMP1MMP2
SCHEMBL28533180 0.71 THRB (0.41) THRBALDH1A1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115610056-A Improved generation high barrier nature PET complex film 浙江宏迈新材料科技有限公司 2023-01-17 CN claimed
CN-112745705-B Fluoropolymer nanoparticle modified photocuring fluorocarbon coating and preparation method thereof 安徽庆润新材料技术有限公司 2022-04-19 CN claimed
CN-112745705-A Fluoropolymer nanoparticle modified photocuring fluorocarbon coating and preparation method thereof 安徽庆润新材料技术有限公司 2021-05-04 CN claimed
CN-115610056-A Improved generation high barrier nature PET complex film 浙江宏迈新材料科技有限公司 2023-01-17 CN disclosed
CN-112745705-B Fluoropolymer nanoparticle modified photocuring fluorocarbon coating and preparation method thereof 安徽庆润新材料技术有限公司 2022-04-19 CN disclosed
CN-112745705-A Fluoropolymer nanoparticle modified photocuring fluorocarbon coating and preparation method thereof 安徽庆润新材料技术有限公司 2021-05-04 CN disclosed