Formic Acid

SCHEMBL7119041

O=CO.OCN(CCc1ccccc1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](c4nnc[nH]4)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	13/20	0.47

▸	ADORA3	P0DMS8	8/20	0.47

▸	ADORA1	P30542	8/20	0.47

▸	ADORA2B	P29275	7/20	0.47

▸	PGK1	P00558	1/20	0.43

▸	PGK2	P07205	1/20	0.43

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
SCHEMBL7118427	0.97	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7119047	0.91	ADORA2A (0.44)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7117080	0.90	ADORA2A (0.47)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7099570	0.89	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7104785	0.89	ADORA2A (0.49)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7100284	0.88	ADORA2A (0.47)	ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7114219	0.87	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7100461	0.85	ADORA2A (0.49)	ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7231158	0.85	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7102132	0.85	ADORA2A (0.51)	ADORA2AADORA3ADORA1ADORA2B

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-1090020-B1	2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES	GLAXO GROUP LTD (GB)	2003-11-05	—	—	EP	disclosed