SCHEMBL6222153

SCHEMBL6222153

C=C(C)C(=O)N[N+](C)(C)CCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
DNM1 Q05193 10/20 0.39
HTT P42858 2/20 0.39
SLC22A1 O15245 1/20 0.37
LSS P48449 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2773074 1.00 TSHR (0.41) TSHRDNM1HTTSLC22A1LSS
Hydrochloric Acid SCHEMBL4102058 0.98 TSHR (0.43) TSHRDNM1HTTSLC22A1
SCHEMBL34095 0.85 TGFBR1 (0.33)
Hydrochloric Acid SCHEMBL7945238 0.83 TSHR (0.32) TSHR
SCHEMBL27678348 0.77 DNM1 (0.44) TSHRDNM1HTTSLC22A1LSS
SCHEMBL3776845 0.77 TGFBR1 (0.35)
SCHEMBL29626817 0.76 TGFBR1 (0.32)
Hydrochloric Acid SCHEMBL3866989 0.75 TGFBR1 (0.34) TSHR
SCHEMBL5713236 0.75 HTT (0.48) DNM1HTTKMT2A
SCHEMBL9918948 0.75 HTT (0.48) DNM1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897146-A1 ANTIMICROBIAL MIXTURE CONTAINING 4-(3-ETHOXY-4-HYDROXYPHENYL) BUTAN-2-ONE, AND 4-HYDROXYACETOPHENONE, AND COMPOSITION CONTAINING SAME L'OREAL (FR) 2021-10-27 EP disclosed
EP-3893833-A1 PERFUME GEL L'OREAL (FR) 2021-10-20 EP disclosed
WO-2021110784-A1 COMPOSITION CONTAINING 4-(3-ETHOXY-4-HYDROXYPHENYL)BUTAN-2-ONE, A PRESERVATIVE AND/OR ANTIOXIDANT, A SURFACTANT AND A POLYMER, AND THE METHOD FOR PROCESSING KERATIN MATERIALS FROM THE COMPOSITION L'OREAL (FR) 2021-06-10 WO disclosed
WO-2020127383-A1 ANTIMICROBIAL MIXTURE CONTAINING 4-(3-ETHOXY-4-HYDROXYPHENYL) BUTAN-2-ONE, AND 4-HYDROXYACETOPHENONE, AND COMPOSITION CONTAINING SAME L'OREAL (FR) 2020-06-25 WO disclosed
WO-2020120704-A1 PERFUME GEL L'OREAL (FR) 2020-06-18 WO disclosed
EP-3082966-A1 COMPOSITION COMPRISING A SPECIFIC ACRYLIC COPOLYMER AND A THICKENING POLYMER L'OREAL (FR) 2016-10-26 EP disclosed
WO-2015092323-A1 COMPOSITION COMPRISING A SPECIFIC ACRYLIC COPOLYMER AND A THICKENING POLYMER L'OREAL (FR) 2015-06-25 WO disclosed
EP-1600150-A1 Composition for the treatment of keratinous materials containing a specific polycarboxylic compound and a thickening polymer, and processes using this composition L'OREAL (FR) 2005-11-30 EP disclosed