SCHEMBL3748997

SCHEMBL3748997

C=CCC(O)(O)CCN

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
SCHEMBL4534528 0.79 ALDH1A1 (0.33)
SCHEMBL9453291 0.78
SCHEMBL9135716 0.76
SCHEMBL11866775 0.74
SCHEMBL1137454 0.72 ALDH1A1 (0.37)
SCHEMBL11237698 0.71
SCHEMBL2052884 0.70 ALDH1A1 (0.35)
SCHEMBL4541645 0.70 FDPS (0.37)
SCHEMBL28731963 0.69 TSHR (0.41)
SCHEMBL4540016 0.69 FDPS (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736325-B2 Surfactants and formulations MONSANTO TECHNOLOGY LLC (US) 2020-08-11 US disclosed
US-20100234228-A1 NOVEL SURFACTANTS AND FORMULATIONS MONSANTO TECHNOLOGY LLC (US) 2010-09-16 US disclosed
EP-1721523-A2 Aqueous pesticide formulations and novel surfactants Monsanto Technology, LLC (US) 2006-11-15 EP disclosed
EP-1343375-B1 AQUEOUS PESTICIDE FORMULATIONS AND NOVEL SURFACTANTS MONSANTO TECHNOLOGY LLC (US) 2006-08-02 EP disclosed
US-7049270-B2 Potassium glyphosate formulations MONSANTO TECHNOLOGY LLC (US) 2006-05-23 US disclosed
US-20050261130-A1 Novel surfactants and formulations MONSANTO TECHNOLOGY LLC (US) 2005-11-24 US disclosed
EP-1343375-A2 AQUEOUS PESTICIDE FORMULATIONS AND NOVEL SURFACTANTS Monsanto Technology LLC (US) 2003-09-17 EP disclosed
US-20030104943-A1 Novel surfactants and formulations MONSANTO TECHNOLOGY LLC 2003-06-05 US disclosed
WO-2001089302-A2 AQUEOUS PESTICIDE FORMULATIONS AND NOVEL SURFACTANTS MONSANTO TECHNOLOGY, LLC (US) 2001-11-29 WO disclosed
US-4832872-A ANIONIC, CATIONIC AND AMPHOTERIC SURFACTANT BLENDS RICHARDSON-VICKS INC. (US) 1989-05-23 US disclosed
EP-0277876-A2 Composition for washing and conditioning hair in a single step LABORATOIRE LACHARTRE SOCIETE ANONYME: (FR) 1988-08-10 EP disclosed