⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30894515 | 1.00 | — | — | |
| SCHEMBL7721475 | 1.00 | — | — | |
| SCHEMBL2214602 | 0.71 | — | — | |
| Methane SCHEMBL23088734 | 0.00 | — | — | |
| Water SCHEMBL25436674 | 0.00 | — | — | |
| SCHEMBL23462034 | 0.00 | — | — | |
| Hydrogen Sulfide SCHEMBL23805181 | 0.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL25435623 | 0.00 | — | — | |
| SCHEMBL25396888 | 0.00 | — | — | |
| SCHEMBL23528133 | 0.00 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0677036-B1 | PRODUCTION OF ODOR-FREE TETRAHYDROISOHUMULATES | KALAMAZOO HOLDINGS INC (US) | 1998-10-07 | — | — | EP | disclosed |
| EP-0677036-A4 | PRODUCTION OF ODOR-FREE TETRAHYDROISOHUMULATES. | KALAMAZOO HOLDINGS INC (US) | 1996-01-10 | — | — | EP | disclosed |
| EP-0677036-A1 | PRODUCTION OF ODOR-FREE TETRAHYDROISOHUMULATES | KALAMAZOO HOLDINGS, INC. (US) | 1995-10-18 | — | — | EP | disclosed |
| WO-1994015899-A1 | PRODUCTION OF ODOR-FREE TETRAHYDROISOHUMULATES | KALAMAZOO HOLDINGS, INC. (US) | 1994-07-21 | — | — | WO | disclosed |
| US-5296637-A | Catalytic hydrogenation | KALAMAZOO HOLDINGS, INC. (US) | 1994-03-22 | — | — | US | disclosed |