SCHEMBL5029009

SCHEMBL5029009

O=P(O)(O)C#CP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
TYMS P04818 1/20 0.38
SLC34A1 Q06495 1/20 0.36
BLM P54132 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP2 P08253 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FDPS P14324 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL4112506 0.82 TYMS (0.33) CA2TYMSSLC34A1ALDH1A1
SCHEMBL4649878 0.79
SCHEMBL10899948 0.76
SCHEMBL2120375 0.70
SCHEMBL176547 0.67
Phosphoric Acid SCHEMBL5907 0.65 CA2 (0.56) CA2TYMSSLC34A1BLMKDM4E
Phosphoric Acid SCHEMBL3788505 0.65 CA2 (0.56) CA2TYMSSLC34A1BLMKDM4E
Phosphoric Acid SCHEMBL8851940 0.65 CA2 (0.56) CA2TYMSSLC34A1BLMKDM4E
Phosphoric Acid SCHEMBL1332284 0.65
Phosphoric Acid SCHEMBL8844890 0.65 CA2 (0.56) CA2TYMSSLC34A1BLMKDM4E

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
CN-117229316-A Method for synthesizing acetylene-1, 2-bis (phosphonate) compounds 兰州大学 2023-12-15 CN disclosed
CN-116323703-A Polymer containing flame retardant group, separator for nonaqueous electrolyte battery comprising the same, and nonaqueous electrolyte battery 株式会社LG新能源 2023-06-23 CN disclosed
WO-2008055963-A1 NOVEL METHOD FOR PRODUCING ORGANIC PHOSPHORUS COMPOUNDS, PHOSPHORUS COMPOUNDS PRODUCED USING SAID METHOD, THE METAL COMPLEXES OF SAID COMPOUNDS, AND USE OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed