Formic Acid

SCHEMBL7211355

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NC5CCCC5)nc43)[C@H](O)[C@@H]2O)n1.O=CO

nearest known ligand 0.48

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	13/20	0.48

▸	ADORA3	P0DMS8	7/20	0.47

▸	ADORA1	P30542	5/20	0.47

▸	ADORA2B	P29275	2/20	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
SCHEMBL7569540	0.96	ADORA2A (0.51)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7204951	0.94	ADORA2A (0.50)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7204946	0.94	ADORA2A (0.50)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7574645	0.92	ADORA2A (0.49)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211364	0.92	ADORA2A (0.45)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7208452	0.91	ADORA2A (0.42)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211360	0.90	ADORA2A (0.43)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7207432	0.90	ADORA2A (0.51)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7207428	0.90	ADORA2A (0.51)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7204932	0.88	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6610665-B1	Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease	SMITHKLINE BEECHAM CORPORATION	2003-08-26	—	—	US	disclosed
EP-1056759-B1	2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES	GLAXO GROUP LTD (GB)	2002-09-04	—	—	EP	disclosed