Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27708249

CC(C)(C)OC=O.CC(C)CCNC(=O)c1ccc(N2CCNCC2)nn1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.55

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
SCHEMBL936566 0.90 SCD (0.59) SCD
Tert-Butyl Formate SCHEMBL27728672 0.86 SCD (0.59) SCD
SCHEMBL937781 0.84 SCD (0.52) SCD
SCHEMBL1600877 0.79 SCD (0.62) SCD
SCHEMBL2465042 0.78 SCD (0.56) SCD
SCHEMBL27725803 0.76 SCD (0.66) SCD
SCHEMBL2622402 0.76 SCD (0.61) SCD
SCHEMBL1811939 0.75 SCD (0.57) SCD
SCHEMBL936576 0.75 SCD (0.64) SCD
SCHEMBL937819 0.74 SCD (0.60) SCD

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-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN disclosed
CN-101160289-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-04-09 CN disclosed