Formic Acid

SCHEMBL7203435

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CC(C)C)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	15/20	0.47

▸	ADORA3	P0DMS8	6/20	0.47

▸	ADORA1	P30542	6/20	0.47

▸	ADORA2B	P29275	5/20	0.47

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
SCHEMBL7201966	0.97	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7203442	0.92	ADORA2A (0.45)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7103257	0.86	ADORA2A (0.47)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7209484	0.85	ADORA2A (0.56)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7117080	0.84	ADORA2A (0.47)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7231852	0.84	ADORA2A (0.49)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103824	0.82	ADORA2A (0.48)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211345	0.82	ADORA2A (0.54)	ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7202927	0.81	ADORA2A (0.51)	ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7204100	0.81	ADORA2A (0.58)	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