⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28056239 | 1.00 | — | — | |
| SCHEMBL27124078 | 1.00 | — | — | |
| Potassium Ion SCHEMBL23462122 | 0.00 | CA4 (0.50) | — | |
| SCHEMBL25239884 | 0.00 | — | — | |
| Methane SCHEMBL23716738 | 0.00 | — | — | |
| SCHEMBL23528137 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462037 | 0.00 | CA4 (0.50) | — | |
| SCHEMBL25393921 | 0.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL25435623 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462163 | 0.00 | CA4 (0.50) | — |
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-101563482-B | Porous titanium with low contact resistance | MITSUBISHI MATERIALS CORP. (JP) | 2012-02-08 | — | — | CN | disclosed |
| CN-101563482-A | Porous titanium with low contact resistance | MITSUBISHI MATERIALS CORP (JP) | 2009-10-21 | — | — | CN | disclosed |