SCHEMBL29283161

SCHEMBL29283161

OC(Br)[C@@H](O)[C@H](O)C(O)Br

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL29283162 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL57635 0.95
SCHEMBL5027985 0.95
SCHEMBL16331344 0.95
SCHEMBL6248401 0.89
SCHEMBL16617809 0.80
SCHEMBL11583637 0.76
SCHEMBL8854310 0.75 LMNA (0.69) ALDH1A1
SCHEMBL9499195 0.73
SCHEMBL17065711 0.73 TDP1 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510383-B Preparation method of 1, 4-dithiothreitol 山东丰金制药有限公司 2024-05-28 CN claimed
CN-117510383-A Preparation method of 1, 4-dithiothreitol 山东丰金制药有限公司 2024-02-06 CN claimed
CN-117510383-B Preparation method of 1, 4-dithiothreitol 山东丰金制药有限公司 2024-05-28 CN disclosed
CN-117510383-B Preparation method of 1, 4-dithiothreitol 山东丰金制药有限公司 2024-05-28 CN disclosed
CN-117510383-A Preparation method of 1, 4-dithiothreitol 山东丰金制药有限公司 2024-02-06 CN disclosed
CN-117510383-A Preparation method of 1, 4-dithiothreitol 山东丰金制药有限公司 2024-02-06 CN disclosed