SCHEMBL7066987

SCHEMBL7066987

C=C(C)C(=O)OCCOc1c(Br)cc(Br)cc1C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.38
TSHR P16473 3/20 0.37
THRA P10827 7/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1808553 0.93 TSHR (0.45) THRBTSHRTHRAMEN1KMT2A
SCHEMBL7062178 0.89 TSHR (0.40) THRBTSHRTHRAMEN1KMT2A
SCHEMBL3413337 0.85 THRB (0.45) THRBTSHRTHRAMEN1KMT2A
SCHEMBL7065851 0.83 THRB (0.40) THRBTSHRTHRAMEN1KMT2A
SCHEMBL1805856 0.82 TSHR (0.44) THRBTSHRTHRAMEN1KMT2A
SCHEMBL5704237 0.81 THRB (0.49) THRBTSHRTHRAKMT2APOLB
SCHEMBL10604787 0.78 TSHR (0.46) THRBTSHRTHRAMEN1KMT2A
SCHEMBL7066709 0.78 MEN1 (0.43) THRBTSHRTHRAMEN1KMT2A
SCHEMBL7067871 0.78 MEN1 (0.40) THRBTHRAMEN1KMT2APOLB
SCHEMBL10630301 0.78 THRB (0.42) THRBTSHRTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP claimed
US-6359170-B1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-03-19 US claimed
EP-1109776-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-06-27 EP claimed
WO-2000014050-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-16 WO claimed
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP disclosed
US-6533959-B2 Formed from monomers such as 2-(4,6-dibromo-2-isopropyl phenoxy)ethyl acrylate; high index of refraction, useful to control flow and intensity of light 3M INNOVATIVE PROPERTIES COMPANY 2003-03-18 US disclosed
US-6359170-B1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-03-19 US disclosed