SCHEMBL444762

SCHEMBL444762

C#CC(N)=O.C#CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
OR51E2 Q9H255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 1/20 0.39
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
ALOX15 P16050 1/20 0.36
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
HPGD P15428 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL134743 1.00
SCHEMBL28357915 0.96
Phosphine SCHEMBL29114657 0.96
SCHEMBL27698679 0.96
Urea SCHEMBL4556929 0.96
Fluoride SCHEMBL28057646 0.96
Formaldehyde SCHEMBL4446179 0.92
Propiolic Acid SCHEMBL15514961 0.89 ACHE (0.40) LMNAALDH1A1OR51E2TDP1ACHE
Sulfuric Acid SCHEMBL28542826 0.86 BLM (0.42) LMNAALDH1A1OR51E2TDP1BLM
SCHEMBL839326 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279509-A Bactericidal composition for agricultural and horticultural use 日本曹达株式会社 2023-12-22 CN disclosed
EP-2678742-B1 REVERSIBLY ACTIVATABLE DIACETYLENES AND THEIR USE AS COLOUR-FORMERS DATALASE LTD (GB) 2018-08-29 EP disclosed
CN-105682461-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-15 CN disclosed
CN-105682462-A Pesticidal compositions and methods related thereto 美国陶氏益农公司 2016-06-15 CN disclosed
CN-105658059-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-08 CN disclosed
CN-105592699-A Herbicide-safener combination containing N- (1,3, 4-oxadiazol-2-yl) arylcarboxylic acid amides BAYER CROPSCIENCE AG 2016-05-18 CN disclosed
CN-102639517-B N- (1,2, 5-oxadiazol-3-yl) benzamides and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-11 CN disclosed
US-20140127429-A1 REVERSIBLY ACTIVATABLE DIACETYLENES AND THEIR USE AS COLOUR-FORMERS DATALASE LTD. (UK) 2014-05-08 US disclosed
US-8663902-B2 Laser imaging DATALASE LTD (GB) 2014-03-04 US disclosed
EP-2414895-B1 LASER IMAGING DATALASE LTD (GB) 2013-11-06 EP disclosed
WO-2012114121-A2 REVERSIBLY ACTIVATABLE DIACETYLENES AND THEIR USE AS COLOUR-FORMERS DATALASE LTD. (GB) 2012-08-30 WO disclosed
EP-2414895-A1 LASER IMAGING DataLase Ltd (GB) 2012-02-08 EP disclosed
US-20120021362-A1 Laser Imaging DATALASE LTD. (GB) 2012-01-26 US disclosed
WO-2010112940-A1 LASER IMAGING DATALASE LTD. (GB) 2010-10-07 WO disclosed