⚠ 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL3638681 | 0.94 | — | — | |
| Dioxane SCHEMBL20766054 | 0.88 | — | — | |
| Oxirane SCHEMBL973217 | 0.84 | — | — | |
| Oxirane SCHEMBL1330900 | 0.84 | — | — | |
| Oxirane SCHEMBL886925 | 0.84 | — | — | |
| Oxirane SCHEMBL11492072 | 0.84 | — | — | |
| Oxirane SCHEMBL654963 | 0.84 | — | — | |
| Oxirane SCHEMBL3587 | 0.84 | — | — | |
| Oxirane SCHEMBL8094696 | 0.84 | TTR (0.83) | — | |
| Oxirane SCHEMBL8643415 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070004610-A1 | Encapsulated Fragrance Chemicals | BRAIN JOSEPH | 2007-01-04 | — | — | US | claimed |
| US-7122512-B2 | Encapsulated fragrance chemicals | INTERNATIONAL FLAVORS & FRAGRANCES INC (US) | 2006-10-17 | — | — | US | claimed |
| US-20040138093-A1 | Encapsulated fragrance chemicals | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2004-07-15 | — | — | US | claimed |
| CN-1360621-A | Water leakage blocking agent, water leakage blocking material using the same, and method for preventing water leakage | NIPPON KAYAKU KK (JP) | 2002-07-24 | — | — | CN | disclosed |