⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5371760 | 0.88 | — | — | |
| SCHEMBL19264 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.72 | — | — | |
| SCHEMBL4536615 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL9930328 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.72 | — | — | |
| SCHEMBL39492 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL95726 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0488381-B1 | Polyhydroxyphenylene ether resin and process for preparing the same | MITSUBISHI CHEM CORP (JP) | 1997-01-29 | — | — | EP | disclosed |
| EP-0513812-B1 | Thermoplastic resin composition | MITSUBISHI CHEM CORP (JP) | 1996-03-27 | — | — | EP | disclosed |
| US-5202409-A | POLYHYDROXYPHENYLENE ETHER RESIN AND PROCESS FOR PREPARING THE SAME | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1993-04-13 | — | — | US | disclosed |
| EP-0513812-A2 | Thermoplastic resin composition | MITSUBISHI CHEMICAL CORPORATION (JP) | 1992-11-19 | — | — | EP | disclosed |
| EP-0488381-A1 | Polyhydroxyphenylene ether resin and process for preparing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 1992-06-03 | — | — | EP | disclosed |
| EP-0368410-A2 | Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation | GIST-BROCADES N.V. (NL) | 1990-05-16 | — | — | EP | disclosed |