SCHEMBL9508084

SCHEMBL9508084

Brc1cc2c(cc1Br)Sc1cc(Br)c(Br)cc1O2

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.60

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
SCHEMBL9508099 0.76 AHR (0.37) AHR
SCHEMBL9344843 0.76 AHR (1.00) AHR
SCHEMBL47016 0.69 AHR (0.56) AHR
SCHEMBL9511385 0.68 AHR (0.60) AHR
SCHEMBL38386558 0.68
SCHEMBL38662394 0.65 MAPT (0.44)
SCHEMBL9657877 0.65 AHR (0.72) AHR
SCHEMBL356698 0.65 AHR (0.50) AHR
SCHEMBL38661182 0.64 CYP3A4 (0.36)
SCHEMBL9657329 0.64 AHR (0.61) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed