SCHEMBL4838458

SCHEMBL4838458

C=CC(=O)NC(CC[N+](C)(C)C)NC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ACACB O00763 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
SCHEMBL10359751 0.83 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
Hydrochloric Acid SCHEMBL7906759 0.81 TSHR (0.48) TSHRALDH1A1MAPK1TDP1CYP2C19
Bromide SCHEMBL6116803 0.81 TSHR (0.48) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL21829097 0.81 TSHR (0.44) TSHRALDH1A1MAPK1TDP1CYP2C19
Hydrochloric Acid SCHEMBL28417057 0.79 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
Bromide SCHEMBL6117840 0.79 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1869231 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL10686469 0.77 TSHR (0.50) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL4026662 0.74 ZDHHC20 (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8976929 0.74 TSHR (0.48) TSHRALDH1A1MAPK1TDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723308-B2 COSMETIC COMPOSITION COMPRISING AT LEAST ONE PARTICULAR AMPHOTERIC POLYMER AND AT LEAST ONE PARTICULAR CONDITIONING AGENT OREAL (FR) 2023-08-30 EP claimed
EP-3164702-B1 USE OF FLUORESCENT POLYMERS IN MARKING COMPOSITIONS FOR THE DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE ECOLAB USA INC (US) 2020-12-09 EP claimed
EP-3122854-B1 CLEANING COMPOSITIONS CONTAINING CATIONIC POLYMERS IN AN AES-ENRICHED SURFACTANT SYSTEM PROCTER & GAMBLE (US) 2020-09-09 EP claimed
EP-3504312-B1 HARD SURFACE TREATMENT COMPOSITION UNILEVER NV (NL) 2020-05-13 EP claimed
EP-3186350-B1 DETERGENT COMPOSITION COMPRISING A CATIONIC POLYMER PROCTER & GAMBLE (US) 2019-10-09 EP claimed
EP-2938578-B9 TAGGED TREATMENT POLYMERS CONTAINING FLUORESCENT MONOMERS FOR USE IN INDUSTRIAL WATER SYSTEMS ECOLAB USA INC (US) 2017-12-27 EP claimed
EP-2938578-B1 TAGGED TREATMENT POLYMERS CONTAINING FLUORESCENT MONOMERS FOR USE IN INDUSTRIAL WATER SYSTEMS ECOLAB USA INC (US) 2017-09-20 EP claimed
EP-2723308-B1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE PARTICULAR AMPHOTERIC POLYMER AND AT LEAST ONE PARTICULAR CONDITIONING AGENT L'ORÉAL (FR) 2017-08-02 EP claimed
EP-1292266-B1 PYRIDOXINE AS NOVEL COUPLING COMPONENT FOR OXIDATIVE HAIR DYES HENKEL KGAA (DE) 2005-11-16 EP claimed
EP-0086066-B1 USE OF A QUATERNIZED POLYAMIDOAMINES AS DEMULSIFIERS THE DOW CHEMICAL COMPANY (US) 1986-11-05 EP claimed
EP-1277463-B2 Foaming composition of silica and cationic polymer ORÉAL L (FR) 2014-08-13 EP disclosed
EP-1277463-B1 Foaming composition of silica and cationic polymer OREAL (FR) 2008-01-02 EP disclosed
EP-1277463-A1 Foaming composition of silica and cationic polymer L'OREAL (FR) 2003-01-22 EP disclosed