Acetaldehyde

Acetaldehyde

SCHEMBL591968

CC=O.CCCC[Sn](CCCC)(CCCC)c1cccs1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.32
TSHR P16473 3/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL275321 0.91 HDAC3 (0.36) HTTMAPTHDAC3HDAC1HDAC11
SCHEMBL5915087 0.91 HDAC3 (0.36) HTTMAPTHDAC3HDAC1HDAC11
SCHEMBL14889184 0.90 ALDH1A1 (0.36) HTTMAPTHDAC3HDAC1HDAC11
Octane SCHEMBL1164389 0.88 HDAC1 (0.39) HTTMAPTHDAC3HDAC1HDAC11
Thiophene SCHEMBL2762416 0.85 HDAC3 (0.33) HTTMAPTHDAC3HDAC1HDAC11
SCHEMBL15375290 0.84 HDAC1 (0.39) HTTMAPTHDAC3HDAC1HDAC11
Ethylene Glycol SCHEMBL28574191 0.84 HDAC3 (0.36) HTTMAPTHDAC3HDAC1HDAC11
SCHEMBL15375293 0.77 HDAC1 (0.33) HDAC1HDAC11HDAC8HDAC6TSHR
SCHEMBL28514384 0.76 CYP1A2 (0.39) L3MBTL1CYP1A2
SCHEMBL28716563 0.76 CYP1A2 (0.42) MAPTTSHRL3MBTL1CYP1A2CYP3A4

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
US-8114956-B2 Polymer having unit obtained by condensation of difluorocyclopentanedione ring and aromatic ring, organic thin film using the same, and organic thin film device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-20100084640-A1 POLYMER HAVING UNIT OBTAINED BY CONDENSATION OF DIFLUOROCYCLOPENTANEDIONE RING AND AROMATIC RING, ORGANIC THIN FILM USING THE SAME, AND ORGANIC THIN FILM DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2123690-A1 POLYMER HAVING UNIT OBTAINED BY CONDENSATION OF DIFLUOROCYCLOPENTANEDIONE RING AND AROMATIC RING, ORGANIC THIN FILM USING THE SAME, AND ORGANIC THIN FILM DEVICE Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed