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SCHEMBL6461458

SCHEMBL6461458

C=[Zr](Cl)(Cl)(C1C(CCC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(CCC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32

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
SCHEMBL6466760 0.91 BRD4 (0.31) BRD4CREBBP
SCHEMBL139335 0.87 ADRB2 (0.31) —
SCHEMBL1073311 0.86 BRD4 (0.31) BRD4CREBBP
SCHEMBL6466715 0.86 BRD4 (0.31) BRD4CREBBP
SCHEMBL5358043 0.86 BRD4 (0.31) BRD4CREBBP
Hydrochloric Acid SCHEMBL3305576 0.85 BRD4 (0.31) BRD4CREBBP
SCHEMBL5914867 0.84 BRD4 (0.33) BRD4CREBBP
SCHEMBL6465123 0.83 BRD4 (0.32) BRD4CREBBP
SCHEMBL7200621 0.81 BRD4 (0.31) BRD4CREBBP
SCHEMBL140544 0.81 CCKAR (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900343-B1 Method for the purification of metallocenes BASELL POLYOLEFINE GMBH (DE) 2005-05-31 — — US disclosed