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Sugi Predict / Compounds / SCHEMBL7599717

SCHEMBL7599717

SCHEMBL7599717

CCC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Zr](C)(C)CC[Zr](C)(C)C1C(CC)=Cc2c(C(C)C)cc(C(C)C)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 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
SCHEMBL7603462 0.84 FABP3 (0.30) FABP3FABP4
SCHEMBL7604239 0.83 GABRA1 (0.31) FABP3FABP4
SCHEMBL797256 0.82 — —
SCHEMBL796950 0.80 — —
SCHEMBL7599576 0.80 — —
SCHEMBL4622600 0.77 GABRA1 (0.33) FABP3FABP4
SCHEMBL5860051 0.77 GABRA1 (0.33) FABP3FABP4
Hydrochloric Acid SCHEMBL8535091 0.75 GABRA1 (0.32) FABP3FABP4
Hydrochloric Acid SCHEMBL27479712 0.75 GABRA1 (0.32) FABP3FABP4
SCHEMBL796648 0.75 — —

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 — — US claimed