SCHEMBL29120213

SCHEMBL29120213

Cc1ccc(S(=O)(=O)O)c(CCOCCOC(C)N=[N+]=[N-])c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL18530400 0.84 ABCG2 (0.39) —
SCHEMBL18530404 0.84 ABCG2 (0.39) —
SCHEMBL23921968 0.84 ABCG2 (0.39) —
SCHEMBL29488092 0.82 TAAR1 (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL29790344 0.82 TAAR1 (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL478439 0.82 TAAR1 (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL516227 0.82 TAAR1 (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1648239 0.81 GAA (0.36) ALDH1A1L3MBTL1
SCHEMBL10617632 0.80 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL18044488 0.80 PTGS1 (0.37) ALDH1A1LMNASMN1; SMN2L3MBTL1

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-116891415-A Preparation method of 2- [2- (2-aminoethoxy) ethoxy ] ethanol 安徽昊帆生物有限公司 2023-10-17 — — CN claimed
CN-116891415-A Preparation method of 2- [2- (2-aminoethoxy) ethoxy ] ethanol 安徽昊帆生物有限公司 2023-10-17 — — CN disclosed
CN-116891415-A Preparation method of 2- [2- (2-aminoethoxy) ethoxy ] ethanol 安徽昊帆生物有限公司 2023-10-17 — — CN disclosed
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