Phosphorylisopropane

Phosphorylisopropane

SCHEMBL29217403

C=C(C)C(N)=O.CC(C)OP(=O)(O)O

nearest known ligand 0.50

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CA4 P22748 1/20 0.34
CTSA P10619 1/20 0.34
ACHE P22303 1/20 0.34
LAP3 P28838 1/20 0.33
PIN1 Q13526 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PEPD P12955 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
Phosphorylisopropane SCHEMBL28586358 0.85 PEPD (0.41) TDP1CTSAACHELAP3KDM4E
Phosphoric Acid SCHEMBL27751704 0.80 TDP1 (0.63) TDP1CA4LAP3TSHRALDH1A1
Phosphorylisopropane SCHEMBL28991381 0.79 TSHR (0.46) TDP1CA4CTSAACHEKDM4E
Phosphorylisopropane SCHEMBL82996 0.79
Phosphorylisopropane SCHEMBL27579237 0.77 CTSA (0.43) TDP1CTSAACHELAP3KDM4E
Phosphorylisopropane SCHEMBL10821980 0.77
Phosphorylisopropane SCHEMBL17670026 0.77 CTSA (0.48) TDP1CTSAACHELAP3KDM4E
Phosphoric Acid SCHEMBL4465090 0.77 TDP1 (0.75) TDP1CA4LAP3ALDH1A1PEPD
Phosphorylisopropane SCHEMBL11420590 0.77 CTSA (0.48) TDP1CTSAACHELAP3KDM4E
Phosphoric Acid SCHEMBL632406 0.77 TDP1 (0.75) TDP1CA4LAP3ALDH1A1PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880985-B Composite material with reduced polymeric shrinkage stress 义获嘉伟瓦登特公司 2024-05-17 CN disclosed