SCHEMBL29690296

SCHEMBL29690296

Nc1cc(F)c(F)c(N)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
PTK2 Q05397 1/20 0.32
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL1462129 1.00 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA7
SCHEMBL461597 0.84 CA1 (0.43) ALDH1A1CA12CA1CA2CA7
Benzene SCHEMBL29240836 0.79 CA1 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL998262 0.79 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL899953 0.77 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA7
SCHEMBL5513285 0.77 ALDH1A1 (0.36) ALDH1A1CA1CA2PTK2
SCHEMBL30688718 0.77 ALDH1A1 (0.36) ALDH1A1CA1CA2PTK2
Cyanide SCHEMBL28063239 0.77 CA1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL31150397 0.74 HSD17B1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL11589756 0.74 HSD17B1 (0.39) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122011311-A Preparation method of metal nanocluster confined covalent organic framework composite material 西北工业大学 2026-05-12 CN claimed
CN-118290733-B Polyimide with high fluorine content, gas separation membrane, and preparation method and application thereof 大连理工大学 2024-08-30 CN claimed
CN-118290733-A Polyimide with high fluorine content, gas separation membrane, and preparation method and application thereof 大连理工大学 2024-07-05 CN claimed
CN-114573805-B Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2024-03-08 CN claimed
CN-114573805-A Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2022-06-03 CN claimed
CN-122011311-A Preparation method of metal nanocluster confined covalent organic framework composite material 西北工业大学 2026-05-12 CN disclosed
CN-118290733-B Polyimide with high fluorine content, gas separation membrane, and preparation method and application thereof 大连理工大学 2024-08-30 CN disclosed
CN-118290733-A Polyimide with high fluorine content, gas separation membrane, and preparation method and application thereof 大连理工大学 2024-07-05 CN disclosed
CN-114573805-B Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2024-03-08 CN disclosed
CN-117203264-A Polyimide precursor composition and polyimide 杰富意化学株式会社 2023-12-08 CN disclosed
CN-114573805-A Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2022-06-03 CN disclosed