Phosphonic Acid

Phosphonic Acid

SCHEMBL8162154

C=Cc1cccc(C)c1C.O=[PH](O)O

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
ESR2 Q92731 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 2/20 0.31
AKR1B10 O60218 1/20 0.31
ABCB11 O95342 1/20 0.31
DHFR P00374 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
SCHEMBL29392787 0.88 TRPA1 (0.42) TRPA1ATMALDH1A1TSHRESR2
SCHEMBL17220278 0.88 TRPA1 (0.42) TRPA1ATMALDH1A1TSHRESR2
SCHEMBL28496 0.88 TRPA1 (0.42) TRPA1ATMALDH1A1TSHRESR2
Ethylene SCHEMBL2135101 0.86 TRPA1 (0.41) TRPA1ATMALDH1A1TSHRESR2
Phosphonic Acid SCHEMBL17183016 0.84 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2ACHETDP1
SCHEMBL27484857 0.84 ALDH1A1 (0.43) TRPA1ATMALDH1A1TSHRESR2
Methylamine SCHEMBL28212696 0.84 TRPA1 (0.39) TRPA1ATMALDH1A1TSHRESR2
SCHEMBL9677535 0.82 ALDH1A1 (0.46) TRPA1ATMALDH1A1TSHRESR2
SCHEMBL28913572 0.81 ALDH1A1 (0.38) TRPA1ATMALDH1A1TSHRESR2
Styrene SCHEMBL11756024 0.77 ALDH1A1 (0.54) TRPA1ATMALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858482-B1 MISCIBLE POLYMERS BAYER ANTWERPEN NV (BE) 2000-05-10 EP claimed
US-5905118-A ACRYLONITRILE-STYRENE COPOLYMERS WITH DIALKYLVINYL AROMATIC PHOSPHONATE BAYER ANTWERPEN S.A./N.V. (BE) 1999-05-18 US claimed
EP-0858482-A1 MISCIBLE POLYMERS BAYER ANTWERPEN N.V. (BE) 1998-08-19 EP claimed
WO-1997016487-A1 MISCIBLE POLYMERS BAYER ANTWERPEN S.A./N.V. (BE) 1997-05-09 WO claimed
EP-0858482-B1 MISCIBLE POLYMERS BAYER ANTWERPEN NV (BE) 2000-05-10 EP disclosed
US-5905118-A ACRYLONITRILE-STYRENE COPOLYMERS WITH DIALKYLVINYL AROMATIC PHOSPHONATE BAYER ANTWERPEN S.A./N.V. (BE) 1999-05-18 US disclosed
EP-0858482-A1 MISCIBLE POLYMERS BAYER ANTWERPEN N.V. (BE) 1998-08-19 EP disclosed
WO-1997016487-A1 MISCIBLE POLYMERS BAYER ANTWERPEN S.A./N.V. (BE) 1997-05-09 WO disclosed