SCHEMBL4950368

SCHEMBL4950368

CC(Br)(C(Br)(Br)c1ccccc1)C(C)(Br)C(Br)(Br)c1cc(Br)c(Br)c(Br)c1Br

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MAPK1 P28482 1/20 0.31
KCNN4 O15554 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL9780554 0.85 EIF2AK2 (0.32) KCNN4
SCHEMBL4952384 0.85 TAAR1 (0.32) TAAR1
SCHEMBL4948749 0.82 ALDH1A1 (0.31)
SCHEMBL3011348 0.82 ALDH1A1 (0.31)
SCHEMBL4952593 0.77
SCHEMBL4948764 0.76 KCNN4 (0.37) TAAR1ESR1ESR2MAPK1KCNN4
SCHEMBL28392904 0.76 TDP1 (0.32) TAAR1KCNN4
SCHEMBL29446475 0.76 TDP1 (0.32) TAAR1KCNN4
SCHEMBL4810985 0.76 TDP1 (0.32) TAAR1KCNN4
SCHEMBL8854109 0.74 KCNN4 (0.39) TAAR1KCNN4

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
US-7378449-B2 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION (US) 2008-05-27 US disclosed
US-20070093582-A1 POLY(BROMOARYL)ALKANE ADDITIVES AND METHODS FOR THEIR PREPARATION AND USE ALBEMARLE CORPORATION (US) 2007-04-26 US disclosed
US-7129385-B2 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION (US) 2006-10-31 US disclosed
US-20040195087-A1 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION 2004-10-07 US disclosed
US-6743825-B1 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION 2004-06-01 US disclosed