SCHEMBL443512

SCHEMBL443512

C1=CC2=C[N+]=CN2C=C1

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
SCHEMBL21500439 0.68
SCHEMBL2994409 0.62
SCHEMBL3282121 0.60
SCHEMBL10050860 0.60
SCHEMBL105522 0.60
SCHEMBL2169542 0.59
SCHEMBL14080069 0.57
SCHEMBL9786274 0.57
SCHEMBL942849 0.56
SCHEMBL17232939 0.56

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-04-09 US claimed
US-20070161631-A1 Substituted Phenoxyacetic Acids PHARMACIA & UPJOHN COMPANY 2007-07-12 US claimed
US-20030036558-A1 Substituted phenoxyacetic acids THE INSTITUTES OF PHARMACEUTICAL DISCOVERY LLC. 2003-02-20 US claimed
EP-0203271-B1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-05-26 EP claimed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP claimed
US-4962100-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 US claimed
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 US claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP claimed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP claimed
US-12012467-B2 Small molecule DCN1 inhibitors and therapeutic methods using the same REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-18 US disclosed
EP-3609876-B1 COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2022-03-30 EP disclosed
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-04-09 US disclosed
US-20180289677-A1 Covalent Small Molecule DCN1 Inhibitors and Therapeutic Methods Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-10-11 US disclosed
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
US-4864022-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-09-05 US disclosed
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 EP disclosed
EP-0234549-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed