⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29059288 | 1.00 | — | — | |
| SCHEMBL20376 | 1.00 | — | — | |
| Water SCHEMBL5665363 | 0.82 | — | — | |
| SCHEMBL6009857 | 0.82 | — | — | |
| SCHEMBL28932455 | 0.82 | — | — | |
| Water SCHEMBL25298040 | 0.82 | — | — | |
| SCHEMBL506091 | 0.82 | — | — | |
| Water SCHEMBL25301079 | 0.82 | — | — | |
| SCHEMBL949706 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3653114 | 0.82 | — | — |
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-207861879-U | A kind of device for recovering tail gas | 连云港笃翔化工有限公司 | 2018-09-14 | — | — | CN | disclosed |
| WO-2011105989-A2 | REVERSIBLE HYDRIDE THERMAL ENERGY STORAGE CELL OPTIMIZE FOR SOLAR APPLICATIONS | BLIESNER WAYNE THOMAS (US) | 2011-09-01 | — | — | WO | disclosed |