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Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27489233

CC(C)(C)OC=O.OC1CNCC(O)C1c1ccc(OCCCOCc2ccccc2)cc1

nearest known ligand 0.59

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.59
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37

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
Bicarbonate SCHEMBL7441898 0.88 REN (0.67) RENKCNH2
Tert-Butyl Formate SCHEMBL27504348 0.87 REN (0.45) REN
SCHEMBL27489232 0.82 REN (0.64) RENKCNH2
Tert-Butyl Formate SCHEMBL27513682 0.79 REN (0.70) REN
Tert-Butyl Formate SCHEMBL27512974 0.79 REN (0.69) REN
Tert-Butyl Formate SCHEMBL28104301 0.78 MAOB (0.47) RENKCNH2CACNA1B
Tert-Butyl Formate SCHEMBL28103909 0.78 MAOB (0.47) RENKCNH2CACNA1B
Tert-Butyl Formate SCHEMBL28103912 0.78 MAOB (0.47) RENKCNH2CACNA1B
SCHEMBL6042521 0.78 REN (0.80) REN
SCHEMBL6041668 0.78 REN (0.80) REN

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-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 — — CN disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 — — CN disclosed