SCHEMBL27393564

SCHEMBL27393564

O=C(O)C(=O)CCCn1ccnc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 18/20 0.65
▸ EGLN3 Q9H6Z9 1/20 0.62

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
SCHEMBL2436663 0.85 TBXAS1 (0.86) TBXAS1EGLN3
Hydrochloric Acid SCHEMBL8891869 0.84 TBXAS1 (0.87) TBXAS1EGLN3
SCHEMBL242748 0.83 TBXAS1 (0.88) TBXAS1EGLN3
SCHEMBL10797370 0.81 TBXAS1 (0.61) TBXAS1EGLN3
SCHEMBL4395522 0.81 TBXAS1 (0.64) TBXAS1EGLN3
SCHEMBL6165743 0.80 TBXAS1 (0.62) TBXAS1EGLN3
SCHEMBL5535386 0.80 TBXAS1 (0.96) TBXAS1EGLN3
SCHEMBL26118476 0.80 TBXAS1 (0.62) TBXAS1EGLN3
Oxalic Acid SCHEMBL1829323 0.79 TBXAS1 (0.68) TBXAS1EGLN3
Oxalic Acid SCHEMBL1829969 0.79 TBXAS1 (0.68) TBXAS1EGLN3

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
CN-1224018-A Phosphonic carboxylate compounds, pharmaceutical compositions contg. same PROCTER & GAMBLE PHARMA (US) 1999-07-28 — — CN disclosed
CN-1089613-A Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 1994-07-20 — — CN disclosed
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