⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL237 | 0.93 | — | — | |
| SCHEMBL30536993 | 0.93 | — | — | |
| SCHEMBL175558 | 0.93 | — | — | |
| SCHEMBL30788722 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL23420518 | 0.86 | — | — | |
| SCHEMBL3286907 | 0.86 | — | — | |
| Fluoride SCHEMBL780440 | 0.86 | — | — | |
| Fluoride SCHEMBL11215445 | 0.86 | TSHR (0.39) | — | |
| Hydrogen Sulfide SCHEMBL21359612 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL1473454 | 0.86 | — | — |
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-113913203-A | Method for preparing hydrogen from organic garbage | 郭洋 | 2022-01-11 | — | — | CN | disclosed |
| EP-0584785-B1 | Method of producing carbonic diesters | DAICEL CHEM (JP) | 1997-03-19 | — | — | EP | disclosed |
| US-5466856-A | Method of producing carbonic diesters | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-14 | — | — | US | disclosed |
| EP-0584785-A2 | Method of producing carbonic diesters | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-02 | — | — | EP | disclosed |