Formic Acid

SCHEMBL7104785

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)[nH]1.O=CO

nearest known ligand 0.49

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	14/20	0.49

▸	ADORA3	P0DMS8	7/20	0.49

▸	ADORA2B	P29275	7/20	0.49

▸	ADORA1	P30542	7/20	0.49

▸	PGK1	P00558	1/20	0.42

▸	PGK2	P07205	1/20	0.42

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
SCHEMBL7103945	0.97	ADORA2A (0.50)	ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7099570	0.93	ADORA2A (0.48)	ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7100284	0.92	ADORA2A (0.47)	ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7104792	0.91	ADORA2A (0.46)	ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103257	0.91	ADORA2A (0.47)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100461	0.90	ADORA2A (0.49)	ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7119041	0.89	ADORA2A (0.47)	ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7102203	0.88	ADORA2A (0.48)	ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7103824	0.88	ADORA2A (0.48)	ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103623	0.87	ADORA2A (0.49)	ADORA2AADORA3ADORA2BADORA1PGK1

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
EP-1090023-B1	2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES	GLAXO GROUP LTD (GB)	2003-09-10	—	—	EP	disclosed