SCHEMBL7268027

SCHEMBL7268027

C[Si](C)(C)CCOC(=O)c1ccc(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4ccc(I)cc4)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)cc1.[MgH2]

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.45
▸ CYCS P99999 4/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ENPP2 Q13822 1/20 0.36
▸ TERT O14746 4/20 0.34
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL6938676 0.99 TOP1 (0.46) TOP1CYCSABCG2ENPP2TERT
SCHEMBL7266760 0.92 TOP1 (0.48) TOP1CYCSABCG2ENPP2TERT
SCHEMBL7268825 0.91 TOP1 (0.49) TOP1CYCSABCG2ENPP2TERT
SCHEMBL12733626 0.74 TOP1 (0.81) TOP1CYCSABCG2ENPP2TERT
SCHEMBL7641258 0.73 TSHR (0.46) —
SCHEMBL6938681 0.73 — —
SCHEMBL12843222 0.73 CYCS (0.63) TOP1CYCSABCG2ENPP2TERT
SCHEMBL12190736 0.73 TOP1 (0.55) TOP1CYCSABCG2
SCHEMBL27255483 0.71 TOP1 (0.67) TOP1CYCSABCG2ENPP2TERT
SCHEMBL6687798 0.70 TOP1 (0.61) TOP1CYCSABCG2ENPP2

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
US-6603070-B2 Convergent method for the synthesis of light harvesting rods. The rods are oligomers of the formula A1(Ab+1)b, wherein b is at least 1, A1 through Ab+1 are covalently coupled rod segments, and each rod segment A1 through A1+b comprises a NORTH CAROLINA STATE UNIVERSITY 2003-08-05 — — US disclosed
US-20030111108-A1 Convergent synthesis of multiporphyrin light-harvesting rods UNITED STATES DEPARTMENT OF ENERGY 2003-06-19 — — US disclosed
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