Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27819733

CC(C)(C)OC=O.Oc1ccc2c(OC(F)F)n[nH]c2c1

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ JAK1 P23458 3/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ CHEK1 O14757 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ LCK P06239 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCND3 P30281 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
Tert-Butyl Formate SCHEMBL27839186 0.80 FLT3 (0.43) MAPK1ALDH1A1HPGDGSK3B
Tert-Butyl Formate SCHEMBL27819524 0.80 PDPK1 (0.44) MAPK1PDPK1HSP90AB1ESR1FGFR1
Tert-Butyl Formate SCHEMBL27949495 0.80 PDPK1 (0.44) PDPK1HSP90AB1ESR1FGFR1FGFR2
Tert-Butyl Formate SCHEMBL27819460 0.79 PDPK1 (0.41) MAPK1PDPK1HSP90AB1ESR1FGFR1
Tert-Butyl Formate SCHEMBL27819730 0.79 PDPK1 (0.43) PDPK1HSP90AB1ESR1FGFR1FGFR2
Tert-Butyl Formate SCHEMBL27819466 0.77 PDPK1 (0.41) PDPK1HSP90AB1ESR1FGFR1FGFR2
Tert-Butyl Formate SCHEMBL27811446 0.76 PDPK1 (0.57) MAPK1PDPK1HSP90AB1ESR1FGFR1
Tert-Butyl Formate SCHEMBL27839185 0.75 HSP90AB1 (0.40) MAPK1PDPK1HSP90AB1ESR1FGFR1
SCHEMBL27819731 0.75 GABRA1 (0.43) MAPK1
Tert-Butyl Formate SCHEMBL27839182 0.73 HSP90AB1 (0.40) MAPK1PDPK1HSP90AB1ESR1FGFR1

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
CN-102171191-A Indazole derivative ASAHI KASEI PHARMA CORP 2011-08-31 — — CN claimed
CN-102171191-A Indazole derivative ASAHI KASEI PHARMA CORP 2011-08-31 — — CN disclosed
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