SCHEMBL171239

SCHEMBL171239

CN(C)CCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ ALDH1A1 P00352 6/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ APAF1 O14727 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ERBB2 P04626 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ FYN P06241 2/20 0.55
▸ CHRM2 P08172 2/20 0.55
▸ CHRM4 P08173 2/20 0.55
▸ CHRM5 P08912 2/20 0.55
▸ ADRA2A P08913 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HSPD1 P10809 2/20 0.55
▸ CHRM1 P11229 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ ADRA2B P18089 2/20 0.55

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
Water SCHEMBL6924231 0.99 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL16993807 0.99 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL4314095 0.83 CYP3A4 (0.64) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL13932431 0.83 CYP3A4 (0.64) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL10037912 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL26132824 0.83 CYP3A4 (0.64) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL16326281 0.82 TSHR (0.61) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL19382463 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL9632628 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1
SCHEMBL1091879 0.82 CYP3A4 (0.82) SMN1; SMN2CYP3A4ALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384050-B Preparation method of pharmaceutical grade benzethonium chloride 扬州市普林斯医药科技有限公司 2024-11-05 — — CN claimed
CN-117384050-A Preparation method of pharmaceutical grade benzethonium chloride 扬州市普林斯医药科技有限公司 2024-01-12 — — CN claimed
CN-114805096-A Production and preparation process of benzethonium chloride 扬州虹光生物科技有限公司 2022-07-29 — — CN claimed
CN-120698893-A Preparation method of benzethonium chloride 扬州市普林斯医药科技有限公司 2025-09-26 — — CN disclosed
CN-120054292-A Preparation process and device of benzethonium chloride composition for sterilization 江苏斯德瑞克化工有限公司 2025-05-30 — — CN disclosed
CN-117384050-B Preparation method of pharmaceutical grade benzethonium chloride 扬州市普林斯医药科技有限公司 2024-11-05 — — CN disclosed
CN-118084685-A Preparation method of continuous pipelining benzethonium chloride 江苏斯德瑞克化工有限公司 2024-05-28 — — CN disclosed
CN-117384050-A Preparation method of pharmaceutical grade benzethonium chloride 扬州市普林斯医药科技有限公司 2024-01-12 — — CN disclosed
CN-114805096-A Production and preparation process of benzethonium chloride 扬州虹光生物科技有限公司 2022-07-29 — — CN disclosed
CN-114805096-A Production and preparation process of benzethonium chloride 扬州虹光生物科技有限公司 2022-07-29 — — CN disclosed
WO-2019187868-A1 TREATMENT FLUID 富士フイルム株式会社 2019-10-03 — — WO disclosed
EP-1556414-B1 HEPARIN-DERIVED OLIGOSACCHARIDE MIXTURES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AVENTIS PHARMA SA (FR) 2012-03-07 — — EP disclosed
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