SCHEMBL31472783

SCHEMBL31472783

O=S(=O)(O)CC(Br)CBr.[Na]

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SLC22A6 Q4U2R8 1/20 0.37
TSHR P16473 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
SCHEMBL355778 0.97
SCHEMBL11121098 0.95 ALDH1A1 (0.39) ALDH1A1SLC22A6TSHR
SCHEMBL28662864 0.76
SCHEMBL8912263 0.76
SCHEMBL30842650 0.75 SLC22A6 (0.42) SLC22A6
SCHEMBL31472780 0.74
SCHEMBL27463649 0.72 SLC22A6 (0.40) SLC22A6
SCHEMBL27533945 0.72 TET2 (0.43)
SCHEMBL28012302 0.71
SCHEMBL11306124 0.70

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-119775173-A Method for preparing 2, 3-dibromopropane sulfonic acid 合肥立方制药股份有限公司 2025-04-08 CN claimed
CN-119775173-A Method for preparing 2, 3-dibromopropane sulfonic acid 合肥立方制药股份有限公司 2025-04-08 CN disclosed