Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. 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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL825539 | 0.83 | — | — | |
| Cyclopropane SCHEMBL10622264 | 0.83 | — | — | |
| Cyclopropane SCHEMBL613518 | 0.83 | — | — | |
| Cyclopropane SCHEMBL11160919 | 0.79 | — | — | |
| Cyclohexane SCHEMBL11156776 | 0.79 | — | — | |
| Ethylenediamine SCHEMBL2099890 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL6062447 | 0.73 | TSHR (0.36) | — | |
| Methylamine SCHEMBL977211 | 0.71 | — | — | |
| Cyclopropane SCHEMBL734540 | 0.71 | ALDH1A1 (0.41) | — | |
| Cyclopropane SCHEMBL6446873 | 0.71 | DNM1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113490591-A | Polymer member-inorganic substrate composite, method for producing same, and polymer member used therefor | 帝人株式会社 | 2021-10-08 | — | — | CN | disclosed |