Acetaldehyde

Acetaldehyde

SCHEMBL3400941

CC=O.CCO.CCO

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Acetaldehyde SCHEMBL662140 1.00
Acetaldehyde SCHEMBL20959767 1.00
Acetaldehyde SCHEMBL4150720 0.96
Acetaldehyde SCHEMBL28444033 0.96
Acetaldehyde SCHEMBL28142446 0.92
Acetaldehyde SCHEMBL9218119 0.92
Acetaldehyde SCHEMBL4296687 0.92
Propanol SCHEMBL27720977 0.89 ALDH1A1 (0.43)
Acetaldehyde SCHEMBL9338605 0.89
Acetic Acid SCHEMBL10531259 0.86 FFAR3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244553-A2 GENETICALLY MODIFIED PHOTOAUTOTROPHIC ETHANOL PRODUCING HOST CELLS, METHOD FOR PRODUCING THE HOST CELLS, CONSTRUCTS FOR THE TRANSFORMATION OF THE HOST CELLS, METHOD FOR TESTING A PHOTOAUTOTROPHIC STRAIN FOR A DESIRED GROWTH PROPERTY AND METHOD OF PRODUCING ETHANOL USING THE HOST CELLS Algenol Biofuels Inc. (US) 2010-11-03 EP disclosed
WO-2009098089-A2 GENETICALLY MODIFIED PHOTOAUTOTROPHIC ETHANOL PRODUCING HOST CELLS, METHOD FOR PRODUCING THE HOST CELLS, CONSTRUCTS FOR THE TRANSFORMATION OF THE HOST CELLS, METHOD FOR TESTING A PHOTOAUTOTROPHIC STRAIN FOR A DESIRED GROWTH PROPERTY AND METHOD OF PRODUCING ETHANOL USING THE HOST CELLS BAIER KERSTIN (DE) 2009-08-13 WO disclosed