SCHEMBL9639233

SCHEMBL9639233

C=CCC(F)(OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL16843448 0.79 CYP2C19 (0.37) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL13917489 0.76 CYP2C19 (0.35) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL5704826 0.74 GAA (0.43) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL770755 0.74 CYP2C19 (0.39) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL1361079 0.74 CYP2C19 (0.39) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL27412775 0.74 MAPT (0.41) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL18116696 0.74 DGAT1 (0.33) MAPTALDH1A1LMNA
SCHEMBL2302989 0.73 CYP2C19 (0.36) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL631049 0.72 CYP2C19 (0.38) CYP2C19POLBTDP1MAPTALDH1A1
SCHEMBL2053110 0.72 CYP2C19 (0.38) CYP2C19POLBTDP1MAPTALDH1A1

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
EP-0128517-B1 OPTICAL MATERIAL DAIKIN INDUSTRIES, LIMITED (JP) 1992-09-02 EP disclosed
EP-0164019-B1 CLADDING MATERIALS FOR OPTICAL FIBERS Daikin Kogyo Co., Ltd. (JP) 1989-01-18 EP disclosed
US-4720428-A FLUOROACRYLATE POLYMER DAIKIN KOGYO CO., LTD. (JP) 1988-01-19 US disclosed
US-4615584-A A-FLUOROACRYLATE HOMOPOLYMER CORE DAIKIN KOGYO CO., LTD. (JP) 1986-10-07 US disclosed
EP-0128517-A2 Optical material DAIKIN INDUSTRIES, LIMITED (JP) 1984-12-19 EP disclosed