⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2092582 | 1.00 | — | — | |
| SCHEMBL12989391 | 1.00 | — | — | |
| SCHEMBL15967 | 1.00 | — | — | |
| SCHEMBL851776 | 1.00 | — | — | |
| SCHEMBL23933874 | 0.71 | — | — | |
| SCHEMBL7726494 | 0.71 | — | — | |
| Water SCHEMBL18734 | 0.71 | — | — | |
| SCHEMBL9616950 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL2324546 | 0.71 | — | — | |
| SCHEMBL7160333 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106566600-A | Self-repairing material for mechanical devices, and preparation method thereof | 广西大学 | 2017-04-19 | — | — | CN | claimed |
| CN-106493485-A | Welding material containing tungsten, molybdenum, titanium, nickel, nobelium and constantan and preparation method thereof | 张金水 | 2017-03-15 | — | — | CN | claimed |
| CN-106566600-A | Self-repairing material for mechanical devices, and preparation method thereof | 广西大学 | 2017-04-19 | — | — | CN | disclosed |
| CN-106493485-A | Welding material containing tungsten, molybdenum, titanium, nickel, nobelium and constantan and preparation method thereof | 张金水 | 2017-03-15 | — | — | CN | disclosed |