SCHEMBL1828857

SCHEMBL1828857

CC(C)C(=O)O.CCCCn1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.64
EGLN3 Q9H6Z9 1/20 0.53

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
Lactic Acid SCHEMBL28122063 0.92 TBXAS1 (0.62) TBXAS1EGLN3
Bicarbonate SCHEMBL28296554 0.90 TBXAS1 (0.70) TBXAS1EGLN3
Oxalic Acid SCHEMBL1829969 0.88 TBXAS1 (0.68) TBXAS1EGLN3
Oxalic Acid SCHEMBL1829323 0.88 TBXAS1 (0.68) TBXAS1EGLN3
Acetic Acid SCHEMBL16341977 0.88 TBXAS1 (0.68) TBXAS1EGLN3
Lactic Acid SCHEMBL28507622 0.88 TBXAS1 (0.68) TBXAS1
Lactic Acid SCHEMBL28499294 0.86 TBXAS1 (0.71) TBXAS1
Lactic Acid SCHEMBL29271999 0.86 TBXAS1 (0.71) TBXAS1
Glycolic Acid SCHEMBL25294099 0.85 TBXAS1 (0.64) TBXAS1EGLN3
Pyruvate SCHEMBL27650226 0.85 TBXAS1 (0.64) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861364-B1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION C P PHARMACEUTICALS INTERNAT C V (US) 2011-05-11 EP claimed
JP-2008533128-A 2008-08-21 JP claimed
EP-1861364-A1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION Pfizer Science and Technology Ireland Limited (IE) 2007-12-05 EP claimed
WO-2006097909-A1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) 2006-09-21 WO claimed
EP-1861364-B1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION C P PHARMACEUTICALS INTERNAT C V (US) 2011-05-11 EP disclosed
EP-1861364-A1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION Pfizer Science and Technology Ireland Limited (IE) 2007-12-05 EP disclosed
WO-2006097909-A1 PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) 2006-09-21 WO disclosed