SCHEMBL3440177

SCHEMBL3440177

C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.36
THRB P10828 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2031372 0.98 TSHR (0.44) TSHRUSP2MAPTGAATHRB
SCHEMBL285648 0.98 TSHR (0.44) TSHRUSP2MAPTGAATHRB
SCHEMBL712581 0.98 TSHR (0.44) TSHRUSP2MAPTGAATHRB
SCHEMBL183807 0.95 TSHR (0.42) TSHRUSP2MAPTGAATHRB
SCHEMBL5968073 0.92 TSHR (0.40) TSHRUSP2MAPTGAATHRB
SCHEMBL1132225 0.88 TSHR (0.44) TSHRUSP2MAPTGAATHRB
SCHEMBL246414 0.88 TSHR (0.45) TSHRTHRBALDH1A1TDP1
SCHEMBL26362898 0.88 TSHR (0.42) TSHRUSP2MAPTTHRBALDH1A1
SCHEMBL26362902 0.88 TSHR (0.42) TSHRUSP2MAPTTHRBALDH1A1
Fluoride SCHEMBL28103175 0.87 TSHR (0.43) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033125-B1 Relining material for dentures KURARAY CO (JP) 2003-09-24 EP claimed
US-6410612-B1 ACRYLIC POLYMER BLEND KURARAY CO., LTD. (JP) 2002-06-25 US claimed
EP-1033125-A1 Relining material for dentures KURARAY CO., LTD. (JP) 2000-09-06 EP claimed
EP-2163234-B1 DENTAL FILLING/RESTORATION KIT TOKUYAMA DENTAL CORP (JP) 2018-09-26 EP disclosed
US-8506298-B2 Dental filling/restoration kit TOKUYAMA DENTAL CORPORATION (JP) 2013-08-13 US disclosed
US-20100216096-A1 DENTAL FILLING/RESTORATION KIT TOKUYAMA DENTAL CORPORATION (JP) 2010-08-26 US disclosed
EP-2163234-A1 DENTAL FILLING/RESTORATION KIT Tokuyama Dental Corporation (JP) 2010-03-17 EP disclosed
EP-1033125-B1 Relining material for dentures KURARAY CO (JP) 2003-09-24 EP disclosed
US-6410612-B1 ACRYLIC POLYMER BLEND KURARAY CO., LTD. (JP) 2002-06-25 US disclosed
EP-1033125-A1 Relining material for dentures KURARAY CO., LTD. (JP) 2000-09-06 EP disclosed