SCHEMBL28335448

SCHEMBL28335448

CCP(c1ccccc1)c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL3386599 0.85 CYP3A4 (0.39) CYP3A4TDP1HPGDTP53
SCHEMBL28223474 0.85 ALDH1A1 (0.35) ALDH1A1CYP3A4TDP1
SCHEMBL7191467 0.82 ACHE (0.36) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL34614 0.78 CYP3A4 (0.45) CYP3A4TDP1HPGDTSHRTP53
SCHEMBL15658153 0.77 TRPA1 (0.33) CYP3A4TDP1TSHR
SCHEMBL5609264 0.76 ACHE (0.33) ALDH1A1CYP3A4TDP1HPGDTP53
Hydrochloric Acid SCHEMBL11570690 0.75 CYP3A4 (0.43) CYP3A4TDP1HPGDTSHRTP53
Ammonia Solution, Strong SCHEMBL15124087 0.75 CYP3A4 (0.43) CYP3A4TDP1HPGDTSHRTP53
Hydrogen Sulfide SCHEMBL8154468 0.75 TDP1 (0.43) ALDH1A1CYP3A4TDP1HPGDTSHR
Hydrochloric Acid SCHEMBL11570696 0.75 CYP3A4 (0.43) CYP3A4TDP1HPGDTSHRTP53

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-110479382-B Catalyst system for preparing 1-octene through ethylene selective oligomerization, and preparation method and application thereof 迈瑞尔实验设备(上海)有限公司 2022-04-29 CN disclosed
CN-110479382-A A kind of catalyst system and the preparation method and application thereof for ethylene selectivity oligomerisation 1- octene MERYER SHANGHAI TECH CO LTD 2019-11-22 CN disclosed