SCHEMBL2877697

SCHEMBL2877697

C=CCN(CC=C)C(=O)CC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.34
DPP4 P27487 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL362773 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL11442766 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL11336523 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTGAAMGAM
SCHEMBL4070869 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL2343049 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTPOLBDPP4
SCHEMBL2264417 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL1777789 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL173228 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL11616346 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL16350574 0.75 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MAPTPOLBLMNA

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112090451-A Cocatalyst with extended shelf life 滕兵 2020-12-18 CN claimed
EP-2158242-B1 WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE DORF KETAL CHEMICALS INDIA PRIVATE LTD (IN) 2019-12-25 EP claimed
US-8829145-B2 Water-stable catalysts for polyurethane manufacture DORF KETAL CHEMICALS (INDIA) PVT. LTD. (IN) 2014-09-09 US claimed
US-20100311937-A1 METHOD AND CATALYST FOR THE MANUFACTURE OF A POLYURETHANE JOHNSON MATTHEY PLC (GB) 2010-12-09 US claimed
US-20100249359-A1 WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE JOHNSON MATTHEY PLC (GB) 2010-09-30 US claimed
JP-2010530917-A 2010-09-16 JP claimed
EP-2215137-A2 METHOD AND CATALYST FOR THE MANUFACTURE OF A POLYURETHANE JOHNSON MATTHEY PLC (GB) 2010-08-11 EP claimed
EP-2158242-A1 WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE Johnson Matthey PLC (GB) 2010-03-03 EP claimed
WO-2009063245-A2 METHOD AND CATALYST FOR THE MANUFACTURE OF A POLYURETHANE JOHNSON MATTHEY PLC (GB) 2009-05-22 WO claimed
EP-2032637-A1 CO-CATALYSTS WITH IMPROVED SHELF LIFE Wacker Chemie AG (DE) 2009-03-11 EP claimed
WO-2008155569-A1 WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE JOHNSON MATTHEY PLC (GB) 2008-12-24 WO claimed
WO-2008000687-A1 CO-CATALYSTS WITH IMPROVED SHELF LIFE WACKER CHEMIE AG (DE) 2008-01-03 WO claimed
US-20210040364-A1 Structural Two-Component Adhesive HENKEL AG & CO KGAA (DE) 2021-02-11 US disclosed
CN-112090451-A Cocatalyst with extended shelf life 滕兵 2020-12-18 CN disclosed
CN-112090451-A Cocatalyst with extended shelf life 滕兵 2020-12-18 CN disclosed
EP-2158242-B1 WATER-STABLE CATALYSTS FOR POLYURETHANE MANUFACTURE DORF KETAL CHEMICALS INDIA PRIVATE LTD (IN) 2019-12-25 EP disclosed
EP-0135656-A2 Process for the stabilisation of aqueous solutions of acetoacetamides with simultaneous reduction of the content of beta-aminocrotonic amides Wacker-Chemie GmbH (DE) 1985-04-03 EP disclosed
EP-0005849-B1 PROCESS FOR PREPARING ALPHA-CHLORO-N-MONOALKYL-ACETOACETAMIDES Wacker-Chemie GmbH (DE) 1981-10-21 EP disclosed
US-4207259-A WATER AS SOLVENT WACKER-CHEMIE GMBH (DE) 1980-06-10 US disclosed
EP-0005849-A1 Process for preparing alpha-chloro-N-monoalkyl-acetoacetamides Wacker-Chemie GmbH (DE) 1979-12-12 EP disclosed