⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1499 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL31352278 | 0.90 | — | — | |
| Methane SCHEMBL10342009 | 0.90 | — | — | |
| Phosphine SCHEMBL29114651 | 0.90 | — | — | |
| Water SCHEMBL4263330 | 0.90 | — | — | |
| SCHEMBL19874556 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL332942 | 0.90 | — | — | |
| SCHEMBL4740432 | 0.90 | — | — | |
| SCHEMBL21412321 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL28872889 | 0.90 | — | — |
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-106311329-A | Preparation method of alkyne-rich polymer supported nano palladium catalyst compound hydrogen absorption material and prepared hydrogen absorption material | 中国工程物理研究院材料研究所 | 2017-01-11 | — | — | CN | disclosed |