⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5140728 | 0.93 | CA12 (0.45) | — | |
| SCHEMBL24809398 | 0.91 | CA12 (0.48) | — | |
| SCHEMBL9666778 | 0.91 | CA12 (0.48) | — | |
| SCHEMBL99153 | 0.84 | — | — | |
| SCHEMBL11874009 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL28313159 | 0.77 | — | — | |
| SCHEMBL15420 | 0.77 | ALDH1A1 (0.56) | — | |
| SCHEMBL291681 | 0.75 | — | — | |
| SCHEMBL4094877 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10822904 | 0.75 | ALDH1A1 (0.43) | — |
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-5153331-A | Reacting 6-epoxyethyl-3-oxatricyclo 3.2.1.0(2,4)!octane with a thiocyanate salt and/or a thiourea | NIPPON OIL COMPANY, LTD. (JP) | 1992-10-06 | — | — | US | disclosed |
| EP-0452092-A2 | 6-Epithioethyl-3-oxatricyclo (3.2.1.02.4) octane and process for preparation thereof | NIPPON OIL CO. LTD. (JP) | 1991-10-16 | — | — | EP | disclosed |
| US-4370402-A | Dye reducing composition for dye transfers, photographic transparencies and color prints | ANDERSON HARRY | 1983-01-25 | — | — | US | disclosed |
| US-4008228-A | Process for preparing 3-methyl-3-cephem antibiotics | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |