SCHEMBL7942903

SCHEMBL7942903

CO/N=C(C(C)=O)\C(=N/OC)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.35
THPO P40225 1/20 0.35
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.30
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
SCHEMBL1783555 0.94 ALDH1A1 (0.37) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL6567442 0.86 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL6263199 0.86 TSHR (0.33) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL6567440 0.86 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL10738083 0.86 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL6263196 0.86 TSHR (0.33) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL7620117 0.86 TSHR (0.33) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL11283607 0.84 CA4 (0.30) ALDH1A1CA4
SCHEMBL11283609 0.84 CA4 (0.30) ALDH1A1CA4
SCHEMBL17279084 0.84 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3982892-A A HALO-TRIAZINE AND DIALKANOYL DIALKYL GLYOXIME OR TETRAALKANOYL GLYCOLURIL COLGATE-PALMOLIVE COMPANY (US) 1976-09-28 US claimed
US-6258295-B1 ACTIVATING INORGANIC PEROXY COMPOUNDS BY CONTACTING WITH OXMINE ESTER COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-07-10 US disclosed
EP-1021515-A1 USE OF OXIME ESTERS AS ACTIVATORS FOR INORGANIC PER-COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
WO-1997017420-A1 USE OF OXIME ESTERS AS ACTIVATORS FOR INORGANIC PER-COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1997-05-15 WO disclosed
US-4522739-A FOR USE IN LOW TEMPERATURES, AROMATIC SULFONYL FLURIDE COLGATE-PALMOLIVE COMPANY (US) 1985-06-11 US disclosed
US-4292191-A Activated peroxy compound bleaching compositions and bleaching detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1981-09-29 US disclosed
US-4107065-A P-ACYLAMINOBENZENESULFONYL CHLORIDE OR BROMIDE COLGATE-PALMOLIVE COMPANY (US) 1978-08-15 US disclosed
US-3982892-A A HALO-TRIAZINE AND DIALKANOYL DIALKYL GLYOXIME OR TETRAALKANOYL GLYCOLURIL COLGATE-PALMOLIVE COMPANY (US) 1976-09-28 US disclosed
US-3982892-A A HALO-TRIAZINE AND DIALKANOYL DIALKYL GLYOXIME OR TETRAALKANOYL GLYCOLURIL COLGATE-PALMOLIVE COMPANY (US) 1976-09-28 US disclosed