SCHEMBL9507655

SCHEMBL9507655

Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1S2

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.56

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
SCHEMBL9511318 0.79 AHR (0.39) AHR
SCHEMBL1954279 0.73 AHR (1.00) AHR
SCHEMBL9511191 0.73 MEN1 (0.31)
SCHEMBL29350347 0.73 AHR (1.00) AHR
SCHEMBL9508926 0.73
SCHEMBL9510038 0.73 AHR (0.33) AHR
SCHEMBL9511331 0.73 AHR (0.33) AHR
SCHEMBL11662544 0.67 AHR (0.85) AHR
SCHEMBL5588712 0.61 AHR (0.69) AHR
SCHEMBL2230890 0.59 AHR (0.65) 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