Propionaldehyde

Propionaldehyde

SCHEMBL27792856

CCC=O.Clc1cccc(Cl)c1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PNMT P11086 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRM5 P08912 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ PARP1 P09874 1/20 0.39

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
Propionaldehyde SCHEMBL28213252 0.87 ACHE (0.42) CHRM2CHRM1CHRM3TDP1POLB
Propionaldehyde SCHEMBL27448505 0.86 CHRM2 (0.39) CHRM2CHRM1CHRM3ALDH1A1TDP1
Propionaldehyde SCHEMBL27860273 0.86 MEN1 (0.45) CHRM2CHRM1CHRM3ALDH1A1POLB
Chlorobenzene SCHEMBL27453118 0.83 TSHR (0.55) CHRM2CHRM1CHRM3ALDH1A1TDP1
SCHEMBL27516500 0.79 ALDH1A1 (0.48) CHRM2CHRM1CHRM3ALDH1A1TDP1
Butane SCHEMBL27583449 0.79 PNMT (0.48) ALDH1A1PNMTTSHRKMT2ATAAR1
1,4-Dichlorobenzene SCHEMBL27455358 0.79 MAPK1 (0.53) ALDH1A1TDP1MAPK1TSHRTAAR1
Ethylamine SCHEMBL27972603 0.77 PNMT (0.58) ALDH1A1PNMTTSHRTAAR1HTR3E
Chloromethane SCHEMBL27517684 0.76 TSHR (0.55) ALDH1A1TDP1PNMTTSHRCHRM5
SCHEMBL28140 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153235-B Phosphor material 通用显示公司 2019-05-10 — — CN disclosed
CN-108445121-A A kind of gas chromatography separation determination 2,4- dichloroacetophenones and 2, the method for 6- dichloroacetophenone isomers 常州市盛辉药业有限公司 2018-08-24 — — CN disclosed
CN-105153235-A Phosphorescent materials UNIVERSAL DISPLAY CORP 2015-12-16 — — CN disclosed
CN-103087109-B Phosphor material UNIVERSAL DISPLAY CORP. (US) 2015-10-28 — — CN disclosed
CN-103087109-A Phosphorescent materials UNIV DISPLAY CORP US 2013-05-08 — — CN disclosed
CN-101657518-A phosphorescent material UNIV DISPLAY CORP US 2010-02-24 — — CN disclosed
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