SCHEMBL29501792

SCHEMBL29501792

CC(O)n1nnnc1S.[Na]

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7942980 0.98
SCHEMBL28707628 0.96 CYP1A2 (0.31) CYP1A2POLBCYP2C19
SCHEMBL30868420 0.81 CYP1A2 (0.30) CYP1A2POLBCYP2C19
SCHEMBL30868501 0.81 CYP1A2 (0.30) CYP1A2POLBCYP2C19
SCHEMBL30868554 0.75 MAP3K5 (0.33)
SCHEMBL30868252 0.75 MAP3K5 (0.33)
Hydrochloric Acid SCHEMBL11540755 0.74 ALDH1A1 (0.32) CYP1A2POLBCYP2C19
SCHEMBL829122 0.74 ALDH1A1 (0.41)
SCHEMBL4812685 0.72 CYP1A2 (0.30) CYP1A2POLBCYP2C19
SCHEMBL11401506 0.72 KDM4E (0.31)

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
CN-114315865-A Flomoxef process impurity and preparation method thereof 北京济美堂医药研究有限公司 2022-04-12 CN claimed
CN-114315865-A Flomoxef process impurity and preparation method thereof 北京济美堂医药研究有限公司 2022-04-12 CN disclosed
CN-114315865-A Flomoxef process impurity and preparation method thereof 北京济美堂医药研究有限公司 2022-04-12 CN disclosed