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 | |
|---|---|---|---|---|
| SCHEMBL7179939 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL6887437 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL3160168 | 0.80 | — | — | |
| SCHEMBL11792366 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL159790 | 0.79 | — | — | |
| SCHEMBL27872945 | 0.78 | — | — | |
| SCHEMBL8616121 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL9700112 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL22712842 | 0.75 | — | — | |
| SCHEMBL27679774 | 0.74 | CES1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105531013-A | Separation of hydrogen sulfide from natural gas | EXXON MOBIL RES & ENG CO | 2016-04-27 | — | — | CN | claimed |
| CN-105531013-A | Separation of hydrogen sulfide from natural gas | EXXON MOBIL RES & ENG CO | 2016-04-27 | — | — | CN | disclosed |