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Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28000511

C1CNCCN1.CC(C)(C)OC=O.O=CO

nearest known ligand 0.59

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Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Tert-Butyl Formate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.59

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 SCHEMBL28331255 0.93 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL27473155 0.93 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL28092916 0.93 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL27606011 0.91 TDP1 (0.65) TDP1
Tert-Butyl Formate SCHEMBL27722006 0.91 TDP1 (0.65) TDP1
Tert-Butyl Formate SCHEMBL28256721 0.91 TDP1 (0.65) TDP1
Tert-Butyl Formate SCHEMBL27647078 0.87 TDP1 (0.54) TDP1
Tert-Butyl Formate SCHEMBL28055962 0.86 TDP1 (0.59) TDP1
Tert-Butyl Formate SCHEMBL28329335 0.85 TDP1 (0.52) TDP1
Tert-Butyl Formate SCHEMBL27565884 0.84 TDP1 (0.62) 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-104245700-A Disubstituted benzothienyl-pyrrolotriazines and their use as fgfr kinase inhibitors Bayer Pharma AG 2014-12-24 — — CN disclosed