⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9858187 | 0.84 | — | — | |
| SCHEMBL14889450 | 0.84 | — | — | |
| SCHEMBL31487401 | 0.82 | — | — | |
| SCHEMBL23270716 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL10781879 | 0.81 | CYP3A4 (0.30) | — | |
| SCHEMBL11483745 | 0.79 | — | — | |
| SCHEMBL5858970 | 0.79 | — | — | |
| SCHEMBL27386882 | 0.77 | POLB (0.32) | — | |
| SCHEMBL9836294 | 0.76 | CES2 (0.39) | — | |
| SCHEMBL20298325 | 0.75 | — | — |
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-1091978-A2 | SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS | Parker Hughes Institute (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000000514-A2 | SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS | PARKER HUGHES INSTITUTE (US) | 2000-01-06 | — | — | WO | disclosed |
| US-4278615-A | Process for the production of aromatic peroxycarboxylic acids | DEGUSSA AKTIENGESSELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |