⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL21067021 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8835649 | 0.97 | — | — | |
| Bromide SCHEMBL10839447 | 0.79 | — | — | |
| SCHEMBL7720095 | 0.72 | — | — | |
| SCHEMBL14677762 | 0.67 | — | — | |
| SCHEMBL851474 | 0.67 | — | — | |
| SCHEMBL7525 | 0.67 | — | — | |
| SCHEMBL754706 | 0.65 | — | — | |
| SCHEMBL23732 | 0.64 | — | — | |
| SCHEMBL8852489 | 0.64 | TSHR (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0020058-B1 | TOTAL SYNTHESIS OF (1RS, 4SR, 5RS)-4-(4,8-DIMETHYL-5-HYDROXY-7-NONENYL)-4-METHYL-3,8-DIOXABICYCLO (3.2.1) OCTANE-1-ACETIC ACID, AND INTERMEDIATES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-09-12 | — | — | EP | claimed |
| EP-3037403-A1 | 7-METHYL-3-METHYLENE-7-OCTENYL HALIDE, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING 7-METHYL-3-METHYLENE-7-OCTENYL PROPIONATE | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-06-29 | — | — | EP | disclosed |
| EP-0761637-A1 | Method for producing rosefuran precursor and intermediates therefor | TOYOTAMA PERFUMERY CO., LTD (JP) | 1997-03-12 | — | — | EP | disclosed |