SCHEMBL2408656

SCHEMBL2408656

[CH2]CC[CH]C(=O)OCC

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
SCHEMBL9576803 0.87 MAPT (0.43)
SCHEMBL2413042 0.83 HCAR2 (0.48)
SCHEMBL127082 0.81
SCHEMBL2410094 0.81
SCHEMBL2409618 0.79 TSHR (0.60)
SCHEMBL7755132 0.78 MAPT (0.61)
SCHEMBL2409688 0.78 TSHR (0.61)
SCHEMBL7755137 0.78 MAPT (0.61)
SCHEMBL10772584 0.77
SCHEMBL129526 0.77 MAPT (0.46)

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
EP-1559716-B1 PYRAZOLONAPHTHYRIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-09-14 EP disclosed
US-20100093782-A1 Pyrazolonaphthyridine derivatives KANAZAWA HASHIME 2010-04-15 US disclosed
US-7608716-B2 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20060040972-A1 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
EP-1559716-A1 PYRAZOLONAPHTHYRIDINE DERIVATIVE Grelan Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP disclosed
EP-1288709-A1 A thermally bleachable dye for a color photothermographic element EASTMAN KODAK COMPANY (US) 2003-03-05 EP disclosed
US-6492076-B1 UNDERGOES CHANGE IN ELECTROMAGNETIC ABSORPTION WHEN HEATED; ANTIHALATION OR FILTER LAYERS CONTAINING ZWITTERIONIC 1-AMINOPYRIDINIUM DYE EASTMAN KODAK COMPANY 2002-12-10 US disclosed
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed
US-4018611-A Non-yellowing antimicrobial compositions comprising diiodomethyl sulfones METALORGANA ETABLISSEMENT (FL) 1977-04-19 US disclosed