Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27765296

CC(C)(C)OC=O.CCNC1CNC1

nearest known ligand 0.45

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43

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 SCHEMBL27822450 0.85 KCNH2 (0.51) TDP1KCNH2
Tert-Butyl Formate SCHEMBL27764923 0.83 KCNH2 (0.49) TDP1KCNH2
Tert-Butyl Formate SCHEMBL27990522 0.80 TDP1 (0.50) TDP1
Tert-Butyl Formate SCHEMBL27849380 0.79 TDP1 (0.48) TDP1
SCHEMBL6036731 0.77 — —
Tert-Butyl Formate SCHEMBL27659888 0.76 TDP1 (0.41) TDP1
Tert-Butyl Formate SCHEMBL19638346 0.75 TDP1 (0.59) TDP1
Hydrochloric Acid SCHEMBL7013899 0.74 — —
Tert-Butyl Formate SCHEMBL28133014 0.74 TDP1 (0.46) TDP1
Tert-Butyl Formate SCHEMBL17956899 0.74 TDP1 (0.56) TDP1

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
CN-101605798-A Imidazothiazole derivative DAIICHI SANKYO CO LTD (JP) 2009-12-16 — — CN disclosed
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