⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL2509346 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL180612 | 1.00 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.93 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL3628777 | 0.93 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.93 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.93 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL25297067 | 0.86 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL22800861 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL21268474 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL6222911 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8703017-B2 | Method of modifying phosphor and phosphor composition and manufacturing method of the same and phosphor solution | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2014-04-22 | — | — | US | disclosed |
| US-20120168679-A1 | METHOD OF MODIFYING PHOSPHOR AND PHOSPHOR COMPOSITION AND MANUFACTURING METHOD OF THE SAME AND PHOSPHOR SOLUTION | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2012-07-05 | — | — | US | disclosed |