SCHEMBL5828545

SCHEMBL5828545

[CH2]CCC(C)(C)[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
SCHEMBL27551301 0.79
SCHEMBL11626614 0.78
SCHEMBL22341413 0.78 ALDH1A1 (0.43)
SCHEMBL393469 0.76
SCHEMBL29041503 0.74
SCHEMBL17030340 0.72 ALDH1A1 (0.44)
Hydrochloric Acid SCHEMBL4607682 0.72 ALDH1A1 (0.38)
SCHEMBL9814489 0.70 ALDH1A1 (0.36)
SCHEMBL1857359 0.70 ALDH1A1 (0.36)
SCHEMBL14737887 0.70 ALDH1A1 (0.42)

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
US-7148371-B2 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2006-12-12 US disclosed
US-7012152-B2 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2006-03-14 US disclosed
US-20060004103-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2006-01-05 US disclosed
US-20040054216-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2004-03-18 US disclosed
US-6664412-B2 Protecting amino group or amino group and carboxyl group of optically active 2-amino-6-methyl-6-nitroheptanoic acid with protecting group, reducing nitro group to synthesize 6,6-dimethyllysine and reacting this with acetic acid AJINOMOTO CO., INC. (JP) 2003-12-16 US disclosed
US-20030105351-A1 Method for producing lysine derivative AJINOMOTO CO. INC (JP) 2003-06-05 US disclosed
US-20020042537-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2002-04-11 US disclosed
EP-1179599-A2 Method for producing lysine derivative Ajinomoto Co., Inc. (JP) 2002-02-13 EP disclosed