⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1127197 | 1.00 | — | — | |
| SCHEMBL10622467 | 1.00 | — | — | |
| SCHEMBL29761 | 0.96 | — | — | |
| SCHEMBL11127109 | 0.96 | TSHR (0.50) | — | |
| SCHEMBL672984 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL135075 | 0.92 | — | — | |
| Iodide SCHEMBL2584329 | 0.92 | — | — | |
| Hydrogen Sulfide SCHEMBL6874931 | 0.92 | TSHR (0.46) | — | |
| SCHEMBL6372546 | 0.92 | — | — | |
| Bromide SCHEMBL5897386 | 0.92 | — | — |
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-4859496-A | VAPOR DEPOSITION OF A TIN COMPOUND AND OXYGEN | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1989-08-22 | — | — | US | disclosed |
| US-4698339-A | BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| EP-0137403-A2 | Carbapenems, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-04-17 | — | — | EP | disclosed |
| US-4358621-A | CATALYTIC HYDROFORMYLATION OF OLEFIN | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1982-11-09 | — | — | US | disclosed |