SCHEMBL29977877

SCHEMBL29977877

CCCCC(=N)[N+](=O)[O-]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL29943792 0.98 CES1 (0.44)
SCHEMBL29484722 0.92 CES1 (0.39)
SCHEMBL6441348 0.75 CES1 (0.50)
Nitric Acid SCHEMBL9701171 0.73 SPHK2 (0.58)
SCHEMBL9452636 0.71
SCHEMBL7168785 0.71
SCHEMBL11052413 0.71 CES1 (0.59)
Hexane SCHEMBL27687689 0.68 ALDH1A1 (0.57)
Pentane SCHEMBL7754125 0.68
Pentane SCHEMBL438082 0.68 ALDH1A1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720234-A1 NEW SURFACTANT COMBINATIONS AND WASHING AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2026-04-08 EP disclosed
EP-4720235-A1 NEW SURFACTANT COMBINATION AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2026-04-08 EP disclosed
EP-4602142-A1 SOPHOROLIPID SURFACTANTS WITH SURFACE-ACTIVE COUNTERCATIONS Henkel AG & Co. KGaA (DE) 2025-08-20 EP disclosed
EP-4602143-A1 CLEANING AGENT COMPOSITION COMPRISING SOPHOROLIPID SURFACTANT AND AN ANTIMICROBIAL COMPOUND Henkel AG & Co. KGaA (DE) 2025-08-20 EP disclosed
WO-2024251400-A1 NEW SURFACTANT COMBINATIONS AND WASHING AND CLEANING AGENTS CONTAINING SAME HENKEL AG & CO. KGAA (DE) 2024-12-12 WO disclosed
WO-2024251402-A1 BIOSURFACTANTS HAVING SURFACE-ACTIVE COUNTERCATIONS HENKEL AG & CO. KGAA (DE) 2024-12-12 WO disclosed
WO-2024251401-A1 NEW SURFACTANT COMBINATION AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME HENKEL AG & CO. KGAA (DE) 2024-12-12 WO disclosed
EP-3143115-B2 WASHING AND CLEANING AGENT WITH ENHANCED BLEACHING PERFORMANCE HENKEL AG & CO KGAA (DE) 2024-08-14 EP disclosed
WO-2024079003-A1 CLEANING AGENT COMPOSITION COMPRISING SOPHOROLIPID SURFACTANT AND AN ANTIMICROBIAL COMPOUND HENKEL AG & CO. KGAA (DE) 2024-04-18 WO disclosed
EP-4353806-A1 SURFACTANT MIXTURES Henkel AG & Co. KGaA (DE) 2024-04-17 EP disclosed
EP-4061918-B1 BLEACH ACTIVATOR HAVING A CATIONIC GROUP AND DETERGENT OR CLEANING PRODUCT CONTAINING SAME HENKEL AG & CO KGAA (DE) 2023-08-30 EP disclosed
EP-4198112-A1 NOVEL SURFACTANT COMBINATION AND WASHING AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2023-06-21 EP disclosed
EP-3676269-B1 NEW ANIONIC SURFACTANTS AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME HENKEL AG & CO KGAA (DE) 2022-12-07 EP disclosed
EP-3497193-B1 DETERGENTS AND CLEANING AGENTS HAVING ANIONIC SURFACTANTS FROM RENEWABLE RAW MATERIALS HENKEL AG & CO KGAA (DE) 2022-11-30 EP disclosed
EP-3676258-B1 NEW ANIONIC SURFACTANTS AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME HENKEL AG & CO KGAA (DE) 2022-10-05 EP disclosed