SCHEMBL27424461

SCHEMBL27424461

O=C(O)CCC(CBr)(CBr)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
EGLN1 Q9GZT9 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
TSHR P16473 6/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.37
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL14963643 0.82 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL5138772 0.74 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL1311882 0.74 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL31130665 0.74 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL3467525 0.74 NAALAD2 (0.43) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL149291 0.74 LMNA (0.38) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL5076638 0.72 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL8764214 0.72 ALDH1A1 (0.54) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL13642563 0.72 CAMK2A (0.46) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL28146999 0.72 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1107665-C Preparation process of 4,4,4-trihalogen butyraldehyde, trihalogen acid and their derivative GUANGZHOU INST OF CHEMISTRY (CN) 2003-05-07 CN disclosed
CN-1277177-A Preparation process of 4,4,4-trihalogen butyraldehyde, trihalogen acid and their derivative GUANGZHOU INST OF CHEMISTRY AC (CN) 2000-12-20 CN disclosed