SCHEMBL5485938

SCHEMBL5485938

C[CH]C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
LAP3 P28838 4/20 0.35
FDPS P14324 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ANPEP P15144 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL9956490 0.75 LAP3 (0.32) CA2LAP3FDPS
SCHEMBL19212109 0.72 FDPS (0.35) CA2LAP3FDPSKDM4EMMP2
SCHEMBL27630943 0.71
SCHEMBL2034826 0.69 KDM4E (0.33) LAP3KDM4EMMP2THRBMAPK1
SCHEMBL16564033 0.69 GRIN2D (0.34) CA2LAP3FDPS
SCHEMBL1083202 0.67 LAP3 (0.33) LAP3KDM4EMMP2THRBMAPK1
SCHEMBL25274614 0.65
SCHEMBL20699853 0.63
Phosphoric Acid SCHEMBL29069940 0.62 TSHR (0.55) CA2FDPSKDM4EMMP2THRB
Phosphoric Acid SCHEMBL28774975 0.62 TSHR (0.55) CA2FDPSKDM4EMMP2THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018035281-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2018-02-22 WO disclosed
WO-2012166792-A1 BACTERIOCHLORIN IMIDES NORTH CAROLINA STATE UNIVERSITY (US) 2012-12-06 WO disclosed
EP-1848778-A2 DE NOVO SYNTHESIS OF BACTERIOCHLORINS North Carolina State University (US) 2007-10-31 EP disclosed
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007018808-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 WO disclosed
WO-2006089122-A2 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2006-08-24 WO disclosed