SCHEMBL9512170

SCHEMBL9512170

Brc1ccccc1C(Br)(Br)C(Br)(Br)Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PYCR1 P32322 1/20 0.31
GAA P10253 1/20 0.31
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
SCHEMBL4949691 0.77 CA1 (0.39) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4944376 0.77 CA1 (0.36) CA1CA2CA5ACA9ALDH1A1
SCHEMBL2266185 0.77 CA1 (0.46) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4950998 0.74 CA1 (0.37) CA1CA2CA5ACA9ALDH1A1
Ethane SCHEMBL18094356 0.74 CA1 (0.37) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4944417 0.74 CA1 (0.37) CA1CA2CA5ACA9ALDH1A1
SCHEMBL363301 0.72 CA1 (0.54) CA1CA2CA5ACA9ALDH1A1
SCHEMBL7895029 0.72 CA1 (0.43) CA1CA2CA5ACA9ALDH1A1
SCHEMBL292047 0.72 ALDH1A1 (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL3675741 0.72 CA1 (0.54) CA1CA2CA5ACA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043906-B1 PROCESS FOR THE PREPARATION OF PENTA-BROMOSTYRENE POLYMERS AND THEIR USE Chemische Fabrik Kalk GmbH (DE) 1984-04-25 EP claimed
US-4394484-A Polypentabromostyrene, process for the production and use CHEMISCHE FABRIK KALK GMBH (DE) 1983-07-19 US claimed
US-4301058-A BROMINE COMPOUNDS WHICH MELT AT DIFFERENT TEMPERATURES CHEMISCHE FABRIK KALK GMBH (DE) 1981-11-17 US claimed
JP-5009227-A None JP disclosed
JP-H059227-A PREPARATION OF POLYPENTABROMOSTYRENE CHEM FAB KALK GMBH 1993-01-19 JP disclosed
US-4602111-A FLAME RETARDANT PPG INDUSTRIES, INC. (US) 1986-07-22 US disclosed
US-4394484-A Polypentabromostyrene, process for the production and use CHEMISCHE FABRIK KALK GMBH (DE) 1983-07-19 US disclosed
US-4394484-A Polypentabromostyrene, process for the production and use CHEMISCHE FABRIK KALK GMBH (DE) 1983-07-19 US disclosed
US-4301058-A BROMINE COMPOUNDS WHICH MELT AT DIFFERENT TEMPERATURES CHEMISCHE FABRIK KALK GMBH (DE) 1981-11-17 US disclosed