Sugi Predict

Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL7202519

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NCCN5CCOCC5)nc43)[C@H](O)[C@@H]2O)n1.O=CO

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.45
▸ ADORA3 P0DMS8 15/20 0.44
▸ ADORA2B P29275 4/20 0.41

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
SCHEMBL7208295 0.97 ADORA2A (0.47) ADORA2AADORA3ADORA2B
Formic Acid SCHEMBL7208433 0.94 ADORA2A (0.52) ADORA2AADORA3ADORA2B
Formic Acid SCHEMBL7202168 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA2B
SCHEMBL7202523 0.92 ADORA2A (0.43) ADORA2AADORA3ADORA2B
SCHEMBL7202526 0.91 ADORA2A (0.41) ADORA2AADORA3ADORA2B
SCHEMBL7208180 0.91 ADORA2A (0.54) ADORA2AADORA3ADORA2B
SCHEMBL8097713 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA2B
SCHEMBL7207004 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA2B
Formic Acid SCHEMBL7204464 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA2B
SCHEMBL7209713 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2B

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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