⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17315002 | 0.89 | — | — | |
| SCHEMBL28847862 | 0.89 | — | — | |
| SCHEMBL17314906 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL28847861 | 0.80 | — | — | |
| SCHEMBL23199766 | 0.78 | — | — | |
| SCHEMBL29233457 | 0.78 | — | — | |
| SCHEMBL28443508 | 0.78 | — | — | |
| SCHEMBL6546051 | 0.78 | — | — | |
| SCHEMBL31197910 | 0.78 | — | — | |
| SCHEMBL1575736 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116397073-A | Control method for refining titanium nitride inclusions in steel and application of steel in railway wheel steel | 山西太钢不锈钢股份有限公司 | 2023-07-07 | — | — | CN | disclosed |