SCHEMBL12798692

SCHEMBL12798692

CN1CC=CC1C(=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
SCHEMBL14770233 1.00
Hydrochloric Acid SCHEMBL6774435 0.98 ACE (0.46)
SCHEMBL12674159 0.86
Hydrochloric Acid SCHEMBL9342155 0.79 ACE (0.35)
SCHEMBL28727117 0.77 ACE (0.58)
SCHEMBL2229670 0.74 ACE (0.59)
SCHEMBL14097930 0.74
SCHEMBL4454388 0.74 ACE (0.59)
SCHEMBL4461003 0.74 ACE (0.59)
SCHEMBL14572721 0.74 ACE (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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7897765-B2 Therapeutic compounds and uses thereof ELIXIR PHARMACEUTICALS, INC. (US) 2011-03-01 US disclosed
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 US disclosed
US-20090305382-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-10 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 US disclosed
US-20090264410-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. (US) 2009-10-22 US disclosed
US-7504506-B2 Therapeutic compounds and uses thereof ELIXIR PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 US disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 US disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 US disclosed