Phosphonic Acid

Phosphonic Acid

SCHEMBL9745863

CCCCNC.O=[PH](O)O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.55
ALOX15 P16050 1/20 0.39
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.38
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ACHE P22303 1/20 0.37

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 SCHEMBL3435253 0.92 EPHX1 (0.67) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL9745434 0.90 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL6714018 0.90 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL5935309 0.90 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL6715919 0.90 EPHX1 (0.71) EPHX1S1PR2S1PR4S1PR1S1PR3
Phosphonic Acid SCHEMBL10451759 0.83
SCHEMBL2600 0.83
Acetone SCHEMBL7082289 0.81 EPHX1 (0.57) EPHX1ALOX15S1PR2S1PR4S1PR1
Alcohol SCHEMBL9949393 0.80
Water SCHEMBL22231652 0.80

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 5 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
EP-0385010-A1 N-alkyl-N-(Aminophenylsulfonyl)-aminoalkylphosphonic acids and salts CROMPTON & KNOWLES CORPORATION (US) 1990-09-05 EP disclosed
US-4851158-A N-alkyl-N-(aminophenylsulfonyl)-aminoalkylphosphonic acids CROMPTON & KNOWLES CORPORATION (US) 1989-07-25 US disclosed
US-4830788-A Process for preparation of substituted-aminomethylphosphonic acids CROMPTON & KNOWLES CORPORATION (US) 1989-05-16 US disclosed