⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11303901 | 0.74 | — | — | |
| SCHEMBL1962941 | 0.67 | — | — | |
| SCHEMBL5434221 | 0.65 | — | — | |
| SCHEMBL654918 | 0.62 | — | — | |
| SCHEMBL3991509 | 0.61 | — | — | |
| SCHEMBL11755943 | 0.61 | — | — | |
| SCHEMBL6016737 | 0.60 | — | — | |
| SCHEMBL1128539 | 0.60 | — | — | |
| SCHEMBL4084535 | 0.59 | — | — | |
| SCHEMBL1438699 | 0.58 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | claimed |
| US-20070043057-A1 | Lonidamine analogs | THRESHOLD PHARMACEUTICALS, INC. (US) | 2007-02-22 | — | — | US | disclosed |
| US-20070015771-A1 | Lonidamine analogs | THRESHOLD PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | US | disclosed |
| WO-2006015263-A2 | LONIDAMINE ANALOGS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2006-02-09 | — | — | WO | disclosed |
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-6002004-A | Pyrrolodiazine derivatives as stabilizers for chilorine-containing polymers | WITCO VINYL ADDITIVES GMBH (DE) | 1999-12-14 | — | — | US | disclosed |
| EP-0736569-A1 | Derivatives of pyrrolodiazine as stabilisers for polymers containing chlorine | CIBA-GEIGY AG (CH) | 1996-10-09 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |