SCHEMBL28839404

SCHEMBL28839404

CC(=O)OCCC1(C[N+](=O)[O-])CCSCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27489807 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29861012 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29860797 0.82 HTT (0.31) ALDH1A1
SCHEMBL27466851 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL27637715 0.78 HTT (0.32) ALDH1A1
SCHEMBL27543877 0.78 HTT (0.32) ALDH1A1
SCHEMBL25230144 0.73 MAPT (0.31)
SCHEMBL27466849 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL31289958 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9949918 0.65 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907365-B Influenza virus inhibitor and application thereof 扬子江药业集团有限公司 2023-12-01 CN disclosed
CN-117120441-A Influenza virus inhibitor and application thereof 扬子江药业集团有限公司 2023-11-24 CN disclosed
WO-2022171198-A1 INFLUENZA VIRUS INHIBITOR AND USE THEREOF 扬子江药业集团有限公司 2022-08-18 WO disclosed
CN-114907365-A Influenza virus inhibitor and application thereof 扬子江药业集团有限公司 2022-08-16 CN disclosed