Tert-Butyl Formate

SCHEMBL27712971

CC(C)(C)OC=O.Cc1cc(C)c(S(=O)(=O)c2ccccc2)cc1C=CCS(=O)(=O)NC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	SFRP1	Q8N474	10/20	0.44

▸	WNT3	P56703	3/20	0.44

▸	HTR6	P50406	9/20	0.34

▸	BRD4	O60885	1/20	0.33

▸	BRD2	P25440	1/20	0.33

▸	BRD3	Q15059	1/20	0.33

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.

Compound	similarity	top predicted	shared targets
Tert-Butyl Formate SCHEMBL28775035	0.90	SFRP1 (0.48)	SFRP1WNT3HTR6BRD4BRD2
Tert-Butyl Formate SCHEMBL28770795	0.87	SFRP1 (0.45)	SFRP1WNT3HTR6BRD4BRD2
Tert-Butyl Formate SCHEMBL27733330	0.84	SFRP1 (0.48)	SFRP1WNT3HTR6
Tert-Butyl Formate SCHEMBL27712926	0.84	SFRP1 (0.48)	SFRP1WNT3HTR6
Tert-Butyl Formate SCHEMBL27713092	0.84	SFRP1 (0.58)	SFRP1WNT3
Ethoxycarbonyl Group SCHEMBL27733740	0.80	SFRP1 (0.42)	SFRP1WNT3HTR6BRD4BRD2
Acetic Acid SCHEMBL27713022	0.78	SFRP1 (0.46)	SFRP1WNT3HTR6BRD4BRD2
Tert-Butyl Formate SCHEMBL27733745	0.76	SFRP1 (0.65)	SFRP1WNT3BRD4BRD2BRD3
Tert-Butyl Formate SCHEMBL27733310	0.75	SFRP1 (0.65)	SFRP1WNT3
Tert-Butyl Formate SCHEMBL28775063	0.75	SFRP1 (0.42)	SFRP1WNT3

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-101208299-A	Diarylsulfone sulfonamides and use therof	WYETH CORP (US)	2008-06-25	—	—	CN	claimed
CN-101208299-A	Diarylsulfone sulfonamides and use therof	WYETH CORP (US)	2008-06-25	—	—	CN	disclosed