Propionaldehyde

Propionaldehyde

SCHEMBL27718959

CCC=O.[N-]=[N+]=Nc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.53
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ RIPK1 Q13546 1/20 0.35
▸ CYP51A1 Q16850 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
Propane SCHEMBL23922782 0.86 PTGS2 (0.56) PTGS2CA1CA2CA5ACA9
Formamide SCHEMBL29242529 0.82 CA1 (0.47) PTGS2CA1CA2CA5ACA9
Formic Acid SCHEMBL28300088 0.82 TP53 (0.47) PTGS2CA1CA2CA5ACA9
Benzene SCHEMBL28456073 0.81 PTGS2 (0.48) PTGS2CA1CA2CA5ACA9
SCHEMBL13475909 0.81 — —
SCHEMBL27718958 0.79 PTGS2 (0.55) PTGS2CA1CA2CA5ACA9
Formaldehyde SCHEMBL27489743 0.79 CA1 (0.47) PTGS2CA1CA2CA5ACA9
SCHEMBL17289458 0.79 PTGS2 (0.47) PTGS2CA1CA2CA5ACA9
Phosphine SCHEMBL29065184 0.79 PTGS2 (0.47) PTGS2CA1CA2CA5ACA9
Fluoride SCHEMBL28295332 0.79 PTGS2 (0.47) PTGS2CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842066-B Polymerizable inorganic particle dispersant, inorganic-organic composite particle containing the same, and inorganic-organic resin composite material 日本化成株式会社 2016-08-24 — — CN disclosed
CN-104817801-A INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION NIPPON KASEI CHEM 2015-08-05 — — CN disclosed
CN-102985483-B Inorganic-organic hybrid material, optical material using same, and inorganic-organic composite composition NIPPON KASEI CHEM 2015-06-10 — — CN disclosed
CN-103842066-A Polymerizable inorganic particle dispersant, inorganic-organic composite particle containing the same, and inorganic-organic resin composite material NIPPON KASEI CHEM 2014-06-04 — — CN disclosed
CN-102985483-A Inorganic-organic hybrid material, optical material using same, and inorganic-organic composite composition NIPPON KASEI CHEM 2013-03-20 — — CN disclosed
CN-101322074-B Silicon-containing resist underlying layer film forming composition for formation of photocrosslinking cured resist underlying layer film NISSAN CHEMICAL IND LTD 2013-01-23 — — CN disclosed
CN-101322074-A Silicon-containing resist underlying layer film forming composition for formation of photocrosslinking cured resist underlying layer film NISSAN CHEMICAL IND LTD (JP) 2008-12-10 — — CN disclosed
CN-101142527-A Photosensitive composition containing organic fine particles NAT UNIVERSITY CORP THE UNIVER (JP) 2008-03-12 — — CN disclosed
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