SCHEMBL4020034

SCHEMBL4020034

Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F.[Mn]

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.46
▸ TOP1 P11387 2/20 0.45
▸ CYCS P99999 2/20 0.44
▸ ENPP2 Q13822 1/20 0.42

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
Hydrochloric Acid SCHEMBL6878885 0.98 TERT (0.45) TERTTOP1CYCSENPP2
SCHEMBL174717 0.98 TERT (0.47) TERTTOP1CYCSENPP2
SCHEMBL3940635 0.96 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL30894449 0.96 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL1315059 0.96 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL2895629 0.96 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL1313450 0.96 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL1954413 0.96 TERT (0.46) TERTTOP1CYCSENPP2
SCHEMBL31460436 0.96 TERT (0.46) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL21493256 0.94 TOP1 (0.45) TERTTOP1CYCSENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116790529-A P450BM3 protein mutant and application thereof 天津大学 2023-09-22 — — CN disclosed
CN-116640207-A Myoglobin mutant and application thereof 天津大学 2023-08-25 — — CN disclosed
CN-111675599-A Method for catalyzing and oxidizing aromatic benzyl tertiary C-H bond into tertiary alcohol by metalloporphyrin 浙江工业大学 2020-09-18 — — CN disclosed
WO-2009088404-A1 PROCESSES FOR THE PREPARATION OF ARTEMISININ AN ITS PRECURSORS AMYRIS BIOTECHNOLOGIES, INC. (US) 2009-07-16 — — WO disclosed
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