Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 SCHEMBL115580 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL28111019 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL10864527 | 0.94 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL19148266 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL27383518 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL27793425 | 0.88 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.87 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.87 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.87 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.87 | — | — |
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-5858921-A | Glyphosate herbicidal and plant growth regulant compositions and their use | ALBEMARLE CORPORATION (US) | 1999-01-12 | — | — | US | disclosed |