SCHEMBL8998094

SCHEMBL8998094

CC=C(CC)CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.38
POLA1 P09884 1/20 0.38
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL14306479 0.87 MGAM (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL17779793 0.81 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL15128257 0.78 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL12593429 0.76 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL17779792 0.74 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL10779589 0.74
SCHEMBL868460 0.74
SCHEMBL6725289 0.74
SCHEMBL868459 0.74
Acetaldehyde SCHEMBL28132578 0.74

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-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed