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Sugi Predict / Compounds / SCHEMBL7602820

SCHEMBL7602820

SCHEMBL7602820

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Ti](C)(C)C(C)(C)[Ti](C)(C)C1C(C)=Cc2c(C(C)C)cc(C(C)C)cc21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 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
SCHEMBL796320 0.79 — —
SCHEMBL8039904 0.76 FABP3 (0.35) GABRA1GABRB2
SCHEMBL7601202 0.76 — —
Hydrochloric Acid SCHEMBL5583459 0.74 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL28407141 0.72 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL27506824 0.72 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL8506274 0.72 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL5860017 0.72 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL7602986 0.71 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL4622636 0.71 GABRA1 (0.34) GABRA1GABRB2

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 disclosed