SCHEMBL7589663

SCHEMBL7589663

CC1=Cc2ccccc2C1[Hf]1(C2C(C)=Cc3ccccc32)CC1.[I].[I]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
DRD2 P14416 3/20 0.30
DRD4 P21917 3/20 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
SCHEMBL8206866 0.98 CYP11B1 (0.31) CYP11B1CYP11B2DRD2DRD4
Hydrochloric Acid SCHEMBL6232955 0.96 DRD2 (0.32) CYP11B1CYP11B2DRD2DRD4
Hydrochloric Acid SCHEMBL6229776 0.89
Hydrochloric Acid SCHEMBL6231455 0.77 DRD2 (0.33) DRD2DRD4
SCHEMBL7584407 0.77 CYP11B1 (0.34) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6230236 0.74 CYP19A1 (0.31) CYP11B1CYP11B2DRD2DRD4
Hydrochloric Acid SCHEMBL6231604 0.74 CYP11B1 (0.34) CYP11B1CYP11B2DRD2DRD4
Hydrochloric Acid SCHEMBL6229737 0.73 HTR2C (0.30)
Hydrochloric Acid SCHEMBL7639893 0.71 MEN1 (0.37)
Hydrochloric Acid SCHEMBL6228693 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780396-B1 Process for depleting by-products in reaction mixtures BASELL POLYOLEFINE GMBH (DE) 2002-10-02 EP disclosed
EP-0780396-A1 Process for depleting by-products in reaction mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-25 EP disclosed