Phosphonic Acid

Phosphonic Acid

SCHEMBL9745434

CCCCCCCCNC.O=[PH](O)O

nearest known ligand 0.71

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.71
S1PR2 O95136 5/20 0.50
S1PR4 O95977 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR5 Q9H228 1/20 0.50
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
CASP2 P42575 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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 SCHEMBL6715919 1.00 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL5935309 1.00 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL6714018 1.00 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL3435253 0.98 EPHX1 (0.67) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL9745863 0.90 EPHX1 (0.55) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL4088273 0.87 EPHX1 (0.60) EPHX1S1PR2S1PR4S1PR1S1PR3
Ethyl Hydrogen Phosphonate SCHEMBL9745921 0.86 EPHX1 (0.58) EPHX1S1PR2S1PR4S1PR1S1PR3
Ethyl Hydrogen Phosphonate SCHEMBL9746213 0.86 EPHX1 (0.58) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL24908635 0.84 EPHX1 (1.00) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL117989 0.84 EPHX1 (1.00) EPHX1S1PR2S1PR4S1PR1S1PR3

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-5099056-A PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED-AMINOMETHYLPHOSPHONIC ACID DIALKYLESTERS AND OF THE CORRESPONDING ACIDS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-03-24 US disclosed
EP-0385014-A1 Process for preparation of substituted aminomethylphosphonic acids CROMPTON & KNOWLES CORPORATION (US) 1990-09-05 EP disclosed
US-4830788-A Process for preparation of substituted-aminomethylphosphonic acids CROMPTON & KNOWLES CORPORATION (US) 1989-05-16 US disclosed