SCHEMBL1462404

SCHEMBL1462404

O=C(O)C1(C(=O)O)CCCC(C(=O)O)(C(=O)O)C1(C(=O)O)C(=O)O.O=C(O)C1(C(=O)O)CCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34

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
SCHEMBL471854 0.86 FFAR3 (0.35) CYP2C19
SCHEMBL27533794 0.84 FFAR3 (0.33) CYP2C19
SCHEMBL10918921 0.84 FFAR3 (0.33) CYP2C19
SCHEMBL8629595 0.84 FFAR3 (0.33) CYP2C19
SCHEMBL11600643 0.84 FFAR3 (0.33) CYP2C19
Water SCHEMBL31091595 0.84 FFAR3 (0.33) CYP2C19
Hydrochloric Acid SCHEMBL3681432 0.83 CYP2C19 (0.44) CYP2C19
Hydrochloric Acid SCHEMBL1188224 0.83 CYP2C19 (0.44) CYP2C19
Hydrochloric Acid SCHEMBL627710 0.83 CYP2C19 (0.44) CYP2C19
SCHEMBL517831 0.81 CYP2C19 (0.46) CYP2C19

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-2480666-B1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN GAITHERSBURG INC (US) 2017-03-08 EP disclosed
EP-2480666-A1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN Gaithersburg, Inc. (US) 2012-08-01 EP disclosed
WO-2011037692-A1 COMPOSITIONS, METHODS, AND KITS FOR ISOLATING AND ANALYZING NUCLEIC ACIDS USING AN ANION EXCHANGE MATERIAL QIAGEN GAITHERSBURG INC. (US) 2011-03-31 WO disclosed