SCHEMBL6429913

SCHEMBL6429913

O=CCC(OP(=O)(O)O)C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
MPI P34949 1/20 0.36

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
SCHEMBL139867 1.00 PTPN1 (0.38) PTPN1MPI
SCHEMBL3507128 0.89 PTPN1 (0.36) PTPN1MPI
SCHEMBL5789757 0.89 PTPN1 (0.36) PTPN1MPI
SCHEMBL3507130 0.89 PTPN1 (0.36) PTPN1MPI
SCHEMBL1921547 0.89 PTPN1 (0.36) PTPN1MPI
SCHEMBL7104411 0.86 BTN3A1 (0.39) MPI
SCHEMBL6045389 0.85 MPI (0.31) PTPN1MPI
SCHEMBL7639200 0.85 PTPN1 (0.38) PTPN1MPI
SCHEMBL320909 0.83 BTN3A1 (0.37) MPI
SCHEMBL4066409 0.83

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-1050525-B1 SUBSTANCES CAPABLE OF INDUCING APOPTOSIS TAKARA BIO INC (JP) 2005-08-31 EP disclosed
US-6809091-B1 RHEUMATISM; 2-(3,4-DIHYDROXY-1-BUTENYL)-4-(2-FORMYLVINYL)-1,3-DIOXOLANE; 4-(9-GUANINYL)-2-CYCLOPENTEN-1-ONE TAKARA BIO INC. (JP) 2004-10-26 US disclosed
EP-1050525-A1 SUBSTANCES CAPABLE OF INDUCING APOPTOSIS Takara Shuzo Co, Ltd. (JP) 2000-11-08 EP disclosed