Busulfan

Busulfan

SCHEMBL31599367

[2H]C([2H])(OS(C)(=O)=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])OS(C)(=O)=O

nearest known ligand 0.46

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL30239690 0.80
SCHEMBL31021618 0.77 USP2 (0.60) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL3879675 0.74
Methanesulfonic Acid Ethyl Ester SCHEMBL30543001 0.73
Methanesulfonic Acid Nonyl Ester SCHEMBL15469147 0.72 CA1 (0.43) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL13646427 0.70
Methanesulfonic Acid Ethyl Ester SCHEMBL29544643 0.69
Ethane Dimethane Sulfonate SCHEMBL1336145 0.67 USP2 (0.75) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL783382 0.67 USP2 (0.56) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL13646426 0.67

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-120072261-A Method and apparatus for estimating busulfan exposure of children hematopoietic stem cell transplantation patient 河北省儿童医院(河北省第五人民医院、河北省儿科研究所) 2025-05-30 CN disclosed