⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL25907361 | 0.87 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL67754 | 0.87 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL21581981 | 0.87 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28643418 | 0.85 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28110770 | 0.85 | — | — | |
| SCHEMBL7371544 | 0.82 | — | — | |
| Tetrahydrofuran-3-Carbaldehyde SCHEMBL28331049 | 0.79 | — | — | |
| SCHEMBL16624 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29125369 | 0.74 | — | — | |
| SCHEMBL1942816 | 0.73 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221445-B1 | SUBSTITUTED 5-FORMYL-1,3-DIOXEPANES, THEIR PREPARATION AND USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1988-10-26 | — | — | EP | claimed |
| EP-0221445-A1 | Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | claimed |
| WO-2022138478-A1 | FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM | 昭和電工株式会社 | 2022-06-30 | — | — | WO | disclosed |
| CN-104781261-A | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES INC | 2015-07-15 | — | — | CN | disclosed |
| EP-0221445-B1 | SUBSTITUTED 5-FORMYL-1,3-DIOXEPANES, THEIR PREPARATION AND USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1988-10-26 | — | — | EP | disclosed |
| EP-0221445-B1 | SUBSTITUTED 5-FORMYL-1,3-DIOXEPANES, THEIR PREPARATION AND USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1988-10-26 | — | — | EP | disclosed |
| US-4761489-A | PERFUMES | BASF AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |
| US-4761489-A | PERFUMES | BASF AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |
| US-4761489-A | PERFUMES | BASF AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |
| EP-0221445-A1 | Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | disclosed |
| EP-0221445-A1 | Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | disclosed |
| EP-0221445-A1 | Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | disclosed |