SCHEMBL439220

SCHEMBL439220

Nc1nc(N)nc(N)n1.O=[PH](O)CC[PH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CASP1 P29466 1/20 0.36
LMNA P02545 1/20 0.33

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
Phosphonic Acid SCHEMBL23581970 0.82 CYP1A2 (0.42) CYP1A2CASP1LMNA
Phosphonic Acid SCHEMBL820156 0.82 CYP1A2 (0.42) CYP1A2CASP1LMNA
SCHEMBL31590452 0.81 CYP1A2 (0.39) CYP1A2CASP1LMNA
Phosphonic Acid SCHEMBL2533586 0.79 CYP1A2 (0.40) CYP1A2CASP1LMNA
SCHEMBL439693 0.74
Phosphonic Acid SCHEMBL30776129 0.72 CYP1A2 (0.37) CYP1A2CASP1LMNA
Phosphonic Acid SCHEMBL30354172 0.72 CYP1A2 (0.37) CYP1A2CASP1LMNA
SCHEMBL437399 0.71
SCHEMBL438216 0.71
SCHEMBL439180 0.71

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
US-20120064790-A1 Ethylene Diphosphinic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-03-15 US disclosed
US-8084518-B2 Ethylenebis(hydroxyalkylphosphinic acid) and salts thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-12-27 US disclosed
US-20100093239-A1 Ethylene Diphosphinic Acids CLARIANT INTERNATIONAL LTD. (CH) 2010-04-15 US disclosed