⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1156661 | 0.76 | MMP2 (0.36) | — | |
| SCHEMBL487362 | 0.73 | — | — | |
| SCHEMBL28693184 | 0.73 | — | — | |
| SCHEMBL4828239 | 0.72 | — | — | |
| SCHEMBL23879796 | 0.71 | TDP1 (0.45) | — | |
| SCHEMBL67111 | 0.71 | — | — | |
| SCHEMBL9611660 | 0.71 | — | — | |
| SCHEMBL23879808 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL23879782 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL4153225 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140234360-A1 | INFLUENZA VACCINE | The United States of America, as represented by the Secretary, Dept.of Health and Human Services (US) | 2014-08-21 | — | — | US | disclosed |
| US-6953789-B2 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-10-11 | — | — | US | disclosed |
| US-20040157894-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| US-6699881-B2 | MATRIX METALLOPROTEASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20030078253-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) | 2003-04-24 | — | — | US | disclosed |
| US-6420415-B1 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1132379-A1 | NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | EP | disclosed |