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Formic Acid

Formic Acid

SCHEMBL6839712

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CC[S+]([O-])CC5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)on1.O=CO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.43
▸ ADORA1 P30542 4/20 0.42
▸ ADORA2A P29274 4/20 0.42
▸ ADORA2B P29275 1/20 0.38

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6835095 0.97 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6841745 0.89 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7595821 0.87 ADORA2A (0.44) ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL6839784 0.85 ADORA2A (0.48) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL6943622 0.84 ADORA2A (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7591488 0.84 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6841624 0.84 ADORA2A (0.43) ADORA1ADORA2AADORA2B
SCHEMBL6839241 0.82 ADORA2A (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6839818 0.81 ADORA2A (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6839929 0.79 ADORA2A (0.39) ADORA1ADORA2AADORA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 — — US disclosed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 — — EP disclosed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 — — EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 — — WO disclosed