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Formic Acid

Formic Acid

SCHEMBL7104995

CCc1nc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)no1.O=CO

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.49
▸ ADORA3 P0DMS8 7/20 0.49
▸ ADORA2B P29275 7/20 0.49
▸ ADORA1 P30542 7/20 0.49

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
SCHEMBL7105567 0.97 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7105004 0.91 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL6839784 0.89 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103623 0.89 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7231158 0.87 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7104785 0.86 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839241 0.86 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102323 0.85 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7102132 0.84 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7099570 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 — — EP disclosed
EP-1090023-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 — — EP disclosed
WO-1999067264-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 — — WO disclosed