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Formic Acid

Formic Acid

SCHEMBL7224826

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCCN5CCOCC5)nc(N(CO)CCc5ccccc5)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 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.49
▸ ADORA2A P29274 19/20 0.49
▸ ADORA2B P29275 18/20 0.49
▸ ADORA1 P30542 18/20 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
SCHEMBL5094350 0.97 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7224432 0.95 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7224830 0.92 ADORA3 (0.44) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5093509 0.92 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7231233 0.92 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7452270 0.90 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1
Formic Acid SCHEMBL7231574 0.89 ADORA3 (0.60) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5093477 0.88 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7224435 0.87 ADORA2A (0.44) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5094362 0.86 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1

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-6528494-B2 Antiinflammatory agents COX BRIAN (GB) 2003-03-04 — — US disclosed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 — — US disclosed