Crotonaldehyde

Crotonaldehyde

SCHEMBL4184630

C/C=C/C=O.CCOC(C)OCC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TRPA1 O75762 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.40
GAPDH P04406 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9254529 0.88 LMNA (0.63) LMNATRPA1MAPK1ALDH1A1GAPDH
SCHEMBL9261863 0.88 LMNA (0.63) LMNATRPA1MAPK1ALDH1A1GAPDH
Acetaldehyde SCHEMBL212729 0.83 LMNA (0.71) LMNAMAPK1ALDH1A1THRB
SCHEMBL4293299 0.83 LMNA (0.71) LMNAMAPK1ALDH1A1THRB
SCHEMBL20536819 0.78 LMNA (0.50) LMNATRPA1GAPDH
SCHEMBL20536806 0.78 LMNA (0.50) LMNATRPA1GAPDH
SCHEMBL11485155 0.78 LMNA (0.63) LMNAMAPK1ALDH1A1THRB
Acetaldehyde SCHEMBL22361219 0.78 LMNA (0.63) LMNATHRB
Butane SCHEMBL818136 0.78 LMNA (0.63) LMNATHRB
Butane SCHEMBL2557609 0.78 LMNA (0.63) LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105342-A Preparation method of (R) -3-aminobutanol 湖州柏特生物科技有限公司 2021-07-13 CN claimed
CN-113105342-A Preparation method of (R) -3-aminobutanol 湖州柏特生物科技有限公司 2021-07-13 CN disclosed
CN-113105342-A Preparation method of (R) -3-aminobutanol 湖州柏特生物科技有限公司 2021-07-13 CN disclosed
US-20090118424-A1 POLYVINYL ACETALS CONTAINING UNSATURATED ACETAL UNITS WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2009-05-07 US disclosed
US-4804786-A HYDROLYSIS OR ALCOHOLYSIS OF BISACETALS IN PRESENCE OF ACID CATALYST BASF AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4656192-A Tropolone derivatives, processes for the preparation thereof and the use thereof as anti-tumor agents MECT CORPORATION (JP) 1987-04-07 US disclosed
US-4607126-A Process for the preparation of glyoxal, alkylglyoxals and acetals thereof CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-08-19 US disclosed