Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2068751 | 0.82 | — | — | |
| SCHEMBL17556768 | 0.82 | — | — | |
| SCHEMBL135169 | 0.82 | — | — | |
| SCHEMBL217341 | 0.82 | — | — | |
| SCHEMBL14938261 | 0.82 | — | — | |
| SCHEMBL2331270 | 0.67 | — | — | |
| SCHEMBL2461514 | 0.67 | — | — | |
| SCHEMBL19064467 | 0.67 | — | — | |
| SCHEMBL17159994 | 0.67 | — | — | |
| SCHEMBL2747722 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9748345-B2 | Modification of electrical properties of topological insulators | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) | 2017-08-29 | — | — | US | disclosed |
| US-20160365255-A1 | Modification of Electrical Properties of Topological Insulators | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2016-12-15 | — | — | US | disclosed |