⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26688294 | 1.00 | — | — | |
| Water SCHEMBL28148887 | 0.71 | — | — | |
| Methane SCHEMBL23088734 | 0.00 | — | — | |
| Hydrogen Sulfide SCHEMBL23805181 | 0.00 | — | — | |
| SCHEMBL23528133 | 0.00 | — | — | |
| SCHEMBL23462252 | 0.00 | — | — | |
| SCHEMBL25435013 | 0.00 | — | — | |
| SCHEMBL23462141 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462035 | 0.00 | CA4 (0.50) | — | |
| SCHEMBL23358113 | 0.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104018028-B | A kind of high alumina height silicon cast titanium alloy | 北京科技大学 | 2016-06-29 | — | — | CN | disclosed |
| CN-104018028-A | High-aluminium and high-silicon cast titanium alloy | UNIV BEIJING SCIENCE & TECH | 2014-09-03 | — | — | CN | disclosed |