Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL6194876 | 1.00 | ALDH1A1 (0.61) | — | |
| Tert-Butanol SCHEMBL1204871 | 1.00 | ALDH1A1 (0.61) | — | |
| Tert-Butanol SCHEMBL28305217 | 0.95 | TSHR (0.57) | — | |
| Tert-Butanol SCHEMBL27435481 | 0.95 | ALDH1A1 (0.57) | — | |
| Bicarbonate SCHEMBL28154408 | 0.90 | — | — | |
| Tert-Butanol SCHEMBL6273948 | 0.86 | — | — | |
| Bicarbonate SCHEMBL9577103 | 0.86 | ALDH1A1 (0.57) | — | |
| Bicarbonate SCHEMBL9790007 | 0.84 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL8577664 | 0.84 | — | — | |
| Tert-Butanol SCHEMBL4348456 | 0.84 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243132-A | A kind of Ni metal (I) coordination compound and its preparation method and application | 山西大学 | 2016-12-21 | — | — | CN | disclosed |
| US-6063749-A | METAL STABILIZERS WITH DIALKYL CARBONATES FOR C3 TO C5 ALKYL BROMIDES | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| EP-0602984-B1 | Electrochemical cell | ASS UNIVERSITIES INC (US) | 1999-05-06 | — | — | EP | disclosed |
| US-5441831-A | Redox process does not involve polymerization and depolymerization | ASSOCIATED UNIVERSITIES, INC. (US) | 1995-08-15 | — | — | US | disclosed |
| EP-0602984-A2 | Electrochemical cell | ASSOCIATED UNIVERSITIES, INC. (US) | 1994-06-22 | — | — | EP | disclosed |