SCHEMBL9404049

SCHEMBL9404049

CCC(=O)C(=[N+]=[N-])C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
FFAR3 O14843 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES1 P23141 2/20 0.32
CES2 O00748 1/20 0.32
CA4 P22748 1/20 0.30

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
SCHEMBL27549933 0.85 FFAR3 (0.36) TDP1FFAR3ALDH1A1CES1CES2
SCHEMBL8748923 0.82 CES1 (0.33) FFAR3ALDH1A1CES1CA4
SCHEMBL5846213 0.78
SCHEMBL81646 0.76
Methylene Chloride SCHEMBL27550579 0.73 TSHR (0.35)
SCHEMBL20361923 0.70
SCHEMBL9457191 0.70 LMNA (0.33) CA4
SCHEMBL962321 0.70 GLO1 (0.47) ALDH1A1
SCHEMBL7045801 0.69
2,3-Pentanedione SCHEMBL1514922 0.68 ALDH1A1 (0.53) TDP1FFAR3ALDH1A1CES1CES2

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
US-20230147375-A1 DISPLAY SUBSTRATE, DISPLAY APPARATUS, AND METHOD OF FABRICATING DISPLAY SUBSTRATE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2023-05-11 US disclosed
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
EP-0371240-B1 USE OF N-PHENYL-SUBSTITUTED OXAZINDIONES AS HERBICIDES AND N-PHENYL-SUBSTITUTED OXAZINDIONES AND SOME PROCESSES FOR THEIR PRODUCTION BAYER AG (DE) 1993-06-16 EP disclosed
EP-0529402-A1 N-(3-alkylthio-phenyl)-oxazindiones as herbicides BAYER AG (DE) 1993-03-03 EP disclosed
US-5164498-A Herbicidal N-phenyl-substituted oxazinediones BAYER AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
US-5061310-A HERBICIDAL N-PHENYL-SUBSTITUTED OXAZINEDIONES AND OXAZINONETHIONES BAYER AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
EP-0371240-A1 Use of N-phenyl-substituted oxazindiones as herbicides and N-phenyl-substituted oxazindiones and some processes for their production BAYER AG (DE) 1990-06-06 EP disclosed