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 | |
|---|---|---|---|---|
| SCHEMBL2439671 | 0.82 | — | — | |
| SCHEMBL223546 | 0.82 | — | — | |
| SCHEMBL28146203 | 0.79 | — | — | |
| Methylamine SCHEMBL9483619 | 0.77 | — | — | |
| Chloromethane SCHEMBL17457033 | 0.77 | — | — | |
| Tert-Butanol SCHEMBL11746210 | 0.75 | ALDH1A1 (0.35) | — | |
| Trichloroethane SCHEMBL27829168 | 0.75 | — | — | |
| Methylamine SCHEMBL7552685 | 0.73 | — | — | |
| Ethane SCHEMBL6302671 | 0.71 | TSHR (0.42) | — | |
| Ethane SCHEMBL690547 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399473-B2 | Macrocyclic spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-19 | — | — | US | disclosed |
| EP-2073635-B1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |
| US-20100029701-A1 | MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-02-04 | — | — | US | disclosed |