SCHEMBL29265156

SCHEMBL29265156

O=CN1CC([N+](=O)[O-])([N+](=O)[O-])C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GAA P10253 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
SCHEMBL436830 0.69 GAA (0.33) CRHBPCRHR2GAA
SCHEMBL7248680 0.69 GAA (0.33) CRHBPCRHR2GAA
SCHEMBL9921596 0.69 GAA (0.38) CRHBPCRHR2GAA
SCHEMBL1994684 0.68 CRHBP (0.63) CRHBPCRHR2GAA
SCHEMBL22654024 0.67
Hydrochloric Acid SCHEMBL9247859 0.67 CRHBP (0.61) CRHBPCRHR2GAA
SCHEMBL11230841 0.65 GAA (0.35) CRHBPCRHR2GAA
SCHEMBL11044912 0.65 GAA (0.31) CRHBPCRHR2GAA
Nitric Acid SCHEMBL8647053 0.64 CRHBP (0.57) CRHBPCRHR2GAA
SCHEMBL9345878 0.64 LMNA (0.39) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118351983-B Iso-bond reaction construction method for retaining functional group 西南石油大学 2024-09-06 CN disclosed
CN-118351983-A Iso-bond reaction construction method for retaining functional group 西南石油大学 2024-07-16 CN disclosed