4-Bromoaniline

4-Bromoaniline

SCHEMBL6903090

Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[NH3+]c1ccc(Br)cc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.31
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
Aniline SCHEMBL341593 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5453949 0.77 CYP2A6 (0.33) CYP2A6ALDH1A1MAPK1
SCHEMBL1135161 0.74 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL1507235 0.70 TSHR (0.33) MAPK1
SCHEMBL727142 0.70 TSHR (0.33) MAPK1
SCHEMBL22478 0.69
SCHEMBL8591536 0.69
SCHEMBL25231433 0.67
Benzene SCHEMBL28592113 0.67
Methylamine SCHEMBL3687155 0.67

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-1028119-B1 Process for producing tetrakisfluorophenylborate DOW CHEMICAL CO (US) 2004-05-26 EP disclosed
EP-1026169-B1 Process for producing tetrakisfluorophenylborate DOW CHEMICAL CO (US) 2003-11-26 EP disclosed
EP-1026168-B1 Process for producing tetrakisfluorophenylborate DOW CHEMICAL CO (US) 2003-10-29 EP disclosed
EP-0609452-B1 PROCESS FOR PRODUCING TETRAKISFLUOROPHENYLBORATE DOW CHEMICAL CO (US) 2002-04-03 EP disclosed
EP-1028119-A2 Process for producing tetrakisfluorophenylborate IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-08-16 EP disclosed
EP-1026169-A2 Process for producing tetrakisfluorophenylborate IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-08-09 EP disclosed
EP-1026168-A2 Process for producing tetrakisfluorophenylborate IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-08-09 EP disclosed
US-5600005-A Process for producing tetrakisflorophenylborate IDEMITSU KOSAN CO., LTD. (JP) 1997-02-04 US disclosed
EP-0609452-A1 PROCESS FOR PRODUCING TETRAKISFLUOROPHENYLBORATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-08-10 EP disclosed