SCHEMBL28070593

CCCCCC(CCCC)[N+](=O)[O-].CCCCCCC(CCC)[N+](=O)[O-].CCCCCCC(CCCCCC)[N+](=O)[O-].CCCCCCCC(CC)[N+](=O)[O-].CCCCCCCCC(CCCC)[N+](=O)[O-].CCCCCCCCCC(CCC)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	3/20	0.41

▸	CA2	P00918	2/20	0.39

▸	DNM1	Q05193	2/20	0.35

▸	FDPS	P14324	4/20	0.33

▸	GPR84	Q9NQS5	4/20	0.33

▸	FFAR1	O14842	1/20	0.33

▸	CA1	P00915	1/20	0.33

▸	TRPM8	Q7Z2W7	2/20	0.32

▸	MAPT	P10636	1/20	0.32

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
SCHEMBL1117706	0.98	ALDH1A1 (0.42)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117613	0.96	ALDH1A1 (0.43)	ALDH1A1CA2DNM1FDPSGPR84
SCHEMBL1117659	0.94	ALDH1A1 (0.45)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117535	0.94	ALDH1A1 (0.45)	ALDH1A1CA2DNM1FDPSGPR84
SCHEMBL1117766	0.94	ALDH1A1 (0.45)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117322	0.92	ALDH1A1 (0.46)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117324	0.92	ALDH1A1 (0.46)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117303	0.92	ALDH1A1 (0.46)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117490	0.92	ALDH1A1 (0.46)	ALDH1A1CA2FDPSGPR84FFAR1
SCHEMBL1117382	0.92	ALDH1A1 (0.46)	ALDH1A1CA2FDPSGPR84FFAR1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-105753706-A	Nitrated hydrocarbons, derivatives, and processes for their manufacture	安格斯化学公司	2016-07-13	—	—	CN	disclosed