Known targets — ChEMBL curated mechanism
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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.
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 SCHEMBL474820 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL11063002 | 0.91 | — | — | |
| Tert-Butanol SCHEMBL11259725 | 0.91 | TSHR (0.55) | — | |
| Alcohol SCHEMBL595983 | 0.82 | TSHR (0.55) | — | |
| Alcohol SCHEMBL15880913 | 0.82 | TSHR (0.55) | — | |
| Tert-Butanol SCHEMBL5867069 | 0.81 | TSHR (0.43) | — | |
| Tert-Butanol SCHEMBL10441371 | 0.81 | ALDH1A1 (0.43) | — | |
| Tert-Butanol SCHEMBL27940828 | 0.80 | — | — | |
| Alcohol SCHEMBL27658536 | 0.80 | — | — | |
| Tert-Butanol SCHEMBL571470 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6986955-B2 | Electronic and optical materials | NGIMAT CO. (US) | 2006-01-17 | — | — | US | disclosed |