SCHEMBL30007490

SCHEMBL30007490

Clc1cc(Br)cc(Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
NMT1 P30419 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
HPGD P15428 5/20 0.35
HSD17B10 Q99714 5/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CASP1 P29466 1/20 0.35
AHR P35869 6/20 0.35
AKR1B1 P15121 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR35 Q9HC97 1/20 0.31
ALOX15 P16050 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
SCHEMBL23327014 1.00 TSHR (0.41) TSHRCYP3A4TDP1NMT1ALDH1A1
SCHEMBL10872330 0.84 ALDH1A1 (0.53) TSHRCYP3A4TDP1NMT1ALDH1A1
SCHEMBL25259748 0.84 TDP1 (0.47) TSHRCYP3A4TDP1NMT1ALDH1A1
SCHEMBL29363465 0.78 RAPGEF4 (0.39) TSHRCYP3A4TDP1ALDH1A1HPGD
SCHEMBL3930536 0.78 RAPGEF4 (0.39) TSHRCYP3A4TDP1ALDH1A1HPGD
SCHEMBL22419005 0.78 CYP3A4 (0.32) CYP3A4NMT1ALDH1A1
SCHEMBL6500390 0.77 ALDH1A1 (0.61) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL30293826 0.77 ALDH1A1 (0.61) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL28667897 0.77 TDP1 (0.41) TSHRCYP3A4TDP1NMT1GABRA1
SCHEMBL4448671 0.74 NMT1 (0.39) TSHRCYP3A4TDP1NMT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113875034-B Organic light emitting device 株式会社LG化学 2024-07-30 CN disclosed
EP-4326731-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2024-02-28 EP disclosed
EP-4139316-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2023-03-01 EP disclosed
EP-4139314-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2023-03-01 EP disclosed
EP-4139317-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2023-03-01 EP disclosed
EP-4139315-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2023-03-01 EP disclosed
CN-115461348-A Organic molecules for optoelectronic devices 三星显示有限公司 2022-12-09 CN disclosed
WO-2022223848-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2022-10-27 WO disclosed