SCHEMBL4949944

SCHEMBL4949944

Brc1c(Br)c(Br)c(C(c2ccccc2)(C(Br)(Br)Br)C(Br)(Br)Br)c(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 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
SCHEMBL652269 0.76 KCNN4 (0.35) KCNN4TSHRALDH1A1TDP1MAPK1
SCHEMBL4813303 0.75 KCNN4 (0.38) KCNN4TSHRALDH1A1TDP1MAPK1
SCHEMBL15064283 0.75 ALDH1A1 (0.38) KCNN4TSHRALDH1A1TDP1MAPK1
SCHEMBL4948729 0.74 CA1 (0.38) ALDH1A1MAPK1
SCHEMBL3977115 0.73 TSHR (0.42) KCNN4TSHRALDH1A1TDP1
SCHEMBL4952285 0.73 KCNN4 (0.33) KCNN4TSHRALDH1A1TDP1
SCHEMBL4949412 0.73 TDP1 (0.30) TDP1
SCHEMBL30604638 0.70 ESR1 (0.43) TSHRALDH1A1MAPK1
SCHEMBL4947666 0.70 KCNN4 (0.34) KCNN4TSHRALDH1A1TDP1MAPK1
SCHEMBL4952329 0.70 KCNN4 (0.34) KCNN4TSHRALDH1A1TDP1MAPK1

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