⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16449139 | 0.88 | — | — | |
| SCHEMBL16152242 | 0.72 | — | — | |
| SCHEMBL15039574 | 0.67 | — | — | |
| SCHEMBL38742 | 0.65 | — | — | |
| SCHEMBL21899747 | 0.63 | — | — | |
| Ethylene SCHEMBL6271130 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL2073823 | 0.60 | — | — | |
| Iodide SCHEMBL5307298 | 0.60 | — | — | |
| SCHEMBL14982558 | 0.57 | — | — | |
| SCHEMBL14433051 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2749887-A2 | System Or Method Of Including Analytical Units | Beckman Coulter, Inc. (US) | 2014-07-02 | — | — | EP | disclosed |
| WO-2012044993-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING OR PREVENTING NEURODEGENERATIVE DISEASES OR DISORDERS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2012-04-05 | — | — | WO | disclosed |
| US-20070020625-A1 | Sequence of the photorhabdus luminescens strain tt01 genome and uses | DUCHAUD ERIC | 2007-01-25 | — | — | US | disclosed |