Acetaldehyde

Acetaldehyde

SCHEMBL27905428

CC=O.O=C(c1ccccc1)C(F)(F)F

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.79
▸ MLYCD O95822 9/20 0.54
▸ ACHE P22303 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SRC P12931 1/20 0.44

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
SCHEMBL33083 0.89 CES1 (1.00) CES1MLYCDACHEALDH1A1
Benzene SCHEMBL27672585 0.89 CES1 (1.00) CES1MLYCDACHEALDH1A1
Fluoride SCHEMBL27824066 0.87 CES1 (0.95) CES1MLYCDACHEALDH1A1
SCHEMBL29393401 0.87 CES1 (0.95) CES1MLYCDACHEALDH1A1
SCHEMBL31083855 0.87 CES1 (0.95) CES1MLYCDACHEALDH1A1
SCHEMBL10727245 0.81 CES1 (0.83) CES1MLYCDACHE
Acetoacetic Acid SCHEMBL28005314 0.77 CES1 (0.68) CES1MLYCDACHESRC
SCHEMBL4502846 0.77 CES1 (0.75) CES1MLYCD
SCHEMBL11261530 0.76 CES1 (0.67) CES1MLYCDACHEALDH1A1MAPK1
SCHEMBL633283 0.76 CES1 (0.67) CES1MLYCDACHEALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102898971-B A kind of rare-earth light conversion agent and its preparation method and application Changzhou University (CN) 2015-08-12 — — CN claimed
CN-102898971-A Rare-earth light conversion agent and preparation method and application thereof UNIV CHANGZHOU 2013-01-30 — — CN claimed
CN-102898971-B A kind of rare-earth light conversion agent and its preparation method and application Changzhou University (CN) 2015-08-12 — — CN disclosed
CN-102898971-A Rare-earth light conversion agent and preparation method and application thereof UNIV CHANGZHOU 2013-01-30 — — CN disclosed
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