SCHEMBL9717527

SCHEMBL9717527

ClP(c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD11B1 P28845 1/20 0.30
PLCG1 P19174 1/20 0.30
IDO1 P14902 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
SCHEMBL30353967 1.00 ALDH1A1 (0.38) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL30353973 1.00 ALDH1A1 (0.38) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL14552261 0.85 TDP1 (0.36) ALDH1A1MAPK1TDP1
SCHEMBL31536312 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL9717508 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL11641106 0.74 ALDH1A1 (0.35) ALDH1A1MAPK1CA1CA2CA4
Hydrochloric Acid SCHEMBL10923184 0.72 ALDH1A1 (0.38) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL18204216 0.72 ALDH1A1 (0.43) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL14604387 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL31081489 0.69 TSHR (0.50) ALDH1A1TAAR1IDO1

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-116020558-A Pyrrole bridged ethylene oligomerization catalyst composition and application 中国石油化工股份有限公司 2023-04-28 CN disclosed
EP-3508490-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2019-07-10 EP disclosed
EP-0340985-B1 PROCESS FOR PREPARING TRANS-2,2-DIMETHYL-3-(2,2-DIHALOVINYL)-CYCLOPROPANE CARBOXYLIC ACID HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-4954651-A Process for preparing trans-2,2-dimethyl-3-(2,2-dihalovinyl)-cyclopropane carboxylic acid halide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-04 US disclosed
EP-0340985-A1 Process for preparing trans-2,2-dimethyl-3-(2,2-dihalovinyl)-cyclopropane carboxylic acid halide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-08 EP disclosed