⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11307967 | 0.98 | ALDH1A1 (0.34) | — | |
| SCHEMBL3667065 | 0.78 | KDM4E (0.39) | — | |
| SCHEMBL26937741 | 0.75 | SMPD3 (0.36) | — | |
| SCHEMBL14289963 | 0.75 | CSNK2A1 (0.33) | — | |
| SCHEMBL9377414 | 0.73 | HTT (0.47) | — | |
| SCHEMBL8812005 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL12458919 | 0.72 | HSD17B10 (0.32) | — | |
| SCHEMBL11307460 | 0.72 | GLA (0.35) | — | |
| SCHEMBL16885274 | 0.71 | KDM4E (0.38) | — | |
| SCHEMBL12431360 | 0.71 | HSD17B10 (0.31) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7803819-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2010-09-28 | — | — | US | disclosed |
| US-20090036444-A1 | 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-02-05 | — | — | US | disclosed |
| US-7314884-B2 | non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile | HOFFMANN-LA ROCHE INC. (US) | 2008-01-01 | — | — | US | disclosed |
| US-20070259925-A1 | DPP IV INHIBITORS | BOEHRINGER MARKUS | 2007-11-08 | — | — | US | disclosed |
| EP-1221447-B1 | Alkyl Cobalt (III) Dioximates and process for forming the same | DU PONT (US) | 2007-10-03 | — | — | EP | disclosed |
| US-6858745-B2 | Alkyl cobalt (III) dioximates and process for forming the same | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2005-02-22 | — | — | US | disclosed |
| US-6740618-B2 | REACTIN A GLYOXIME, A COBALT SALT, AN UNSATURATED COMPOUND SUCH AS AN ALKYL ACRYLATE, AND A LEWIS BASE IN H2; USE AS A POLYMERIZATION CATALYST, ESPECIALLY IN POLYMERIZING METHYL METHACRYLATE | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-05-25 | — | — | US | disclosed |
| US-6713427-B2 | TREATING A MIXTURE OF A COBALT (II) SALT, A DIOXIME OF THE FORMULA R1-C( HORIZONTAL-LINE NOH)-C( HORIZONTAL-LINE NOH)-R2, AN ACRYLIC ESTER, A LEWIS BASE WITH MOLECULAR HYDROGEN TO FORM A COBALT DIOXIMATE COMPLEX | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-03-30 | — | — | US | disclosed |
| US-20030149275-A1 | Alkyl cobalt (III) dioximates and process for forming the same | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2003-08-07 | — | — | US | disclosed |
| US-20030135054-A1 | Alkyl cobalt(III) dioximates and process for forming the same | GRIDNEV ALEXEI A (US) | 2003-07-17 | — | — | US | disclosed |
| US-20030125564-A1 | Alkyl cobalt (III) dioximates and process for forming the same | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2003-07-03 | — | — | US | disclosed |
| US-6559327-B2 | By reacting a cobalt salt, a dioxime such as diphenylglyoxime, a lewis base such as 1,2-dimethylimidazole, and an olefinic compound such as methyl acrylate, and treating with hydrogen; high yield, purity | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-05-06 | — | — | US | disclosed |
| EP-1221447-A2 | Alkyl Cobalt (III) Dioximates and process for forming the same | E. I. du Pont de Nemours and Company (US) | 2002-07-10 | — | — | EP | disclosed |
| US-20020087006-A1 | Alkyl cobalt (III) dioximates and process for forming the same | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2002-07-04 | — | — | US | disclosed |
| US-RE30511-E | ENZYME INHIBITOR, HERBICIDE, CYCLIZATION | AMERICAN CYANAMID COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4168964-A | HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1979-09-25 | — | — | US | disclosed |
| US-4124766-A | INTERMEDIATES FOR PHOSPHODIESTERASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1978-11-07 | — | — | US | disclosed |
| US-4107307-A | ENZYME INHIBITORS, HERBICIDES, RING CLOSURE | AMERICAN CYANAMID COMPANY (US) | 1978-08-15 | — | — | US | disclosed |
| US-4107308-A | HYPOTENSIVE AGENTS, HERBICIDES, REACTING SODIUM SALT WITH ALLYL OR ALKYL HALIDE, RING CLOSURE | AMERICAN CYANAMID COMPANY (US) | 1978-08-15 | — | — | US | disclosed |