⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5349610 | 0.87 | — | — | |
| SCHEMBL723481 | 0.87 | — | — | |
| SCHEMBL5349619 | 0.87 | — | — | |
| Phosphine SCHEMBL8074595 | 0.75 | — | — | |
| SCHEMBL539 | 0.71 | — | — | |
| SCHEMBL8030823 | 0.71 | — | — | |
| SCHEMBL11435373 | 0.71 | — | — | |
| SCHEMBL23040651 | 0.58 | — | — | |
| Fluoride SCHEMBL3084625 | 0.58 | — | — | |
| SCHEMBL7367290 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150325328-A1 | GROUP IV NANOCRYSTALS HAVING A SURFACE SUBSTANTIALLY FREE OF OXYGEN | ENERGY, UNITED STATES DEPARTMENT OF | 2015-11-12 | — | — | US | disclosed |