SCHEMBL7786789

SCHEMBL7786789

BrCCCCCCCCC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL20597382 1.00 EPHX1 (0.48) EPHX1LMNAPOLBTP53HPGD
SCHEMBL5361321 1.00 EPHX1 (0.48) EPHX1LMNAPOLBTP53HPGD
SCHEMBL2198455 0.98 EPHX1 (0.45) EPHX1LMNAPOLBTP53HPGD
SCHEMBL2199616 0.92 EPHX1 (0.47) EPHX1LMNAPOLBTP53HPGD
SCHEMBL2197798 0.92 EPHX1 (0.42) EPHX1LMNAPOLBTP53HPGD
SCHEMBL2198239 0.85
SCHEMBL15104972 0.85
SCHEMBL963751 0.83
SCHEMBL3684347 0.83 EPHX1 (0.60) EPHX1LMNAPOLBTP53HPGD
SCHEMBL13294283 0.83 EPHX1 (0.60) EPHX1LMNAPOLBTP53HPGD

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
CN-117510316-B Preparation method of fruit tree pest sex pheromone (9E, 11Z) -9, 11-hexadecadienal 江苏宁录科技股份有限公司 2024-11-19 CN disclosed
CN-117510316-A Preparation method of fruit tree pest sex pheromone (9E, 11Z) -9, 11-hexadecadienal 江苏宁录科技股份有限公司 2024-02-06 CN disclosed
CN-110386865-B Process for preparing (9E, 11Z) -9, 11-hexadecadienal 信越化学工业株式会社 2023-12-05 CN disclosed
EP-1141172-A1 LIQUID CRYSTAL MATERIALS QinetiQ Limited (GB) 2001-10-10 EP disclosed
WO-2000029505-A1 LIQUID CRYSTAL MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-05-25 WO disclosed