Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isopropylamine. 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL10538168 | 0.92 | MEN1 (0.43) | — | |
| Isopropylamine SCHEMBL10538159 | 0.92 | MEN1 (0.43) | — | |
| Isopropylamine SCHEMBL10538150 | 0.92 | MEN1 (0.43) | — | |
| SCHEMBL6260032 | 0.85 | MEN1 (0.43) | — | |
| SCHEMBL6260028 | 0.85 | — | — | |
| Isopropylamine SCHEMBL8341815 | 0.81 | — | — | |
| Methylamine SCHEMBL5497186 | 0.79 | — | — | |
| SCHEMBL8203777 | 0.79 | — | — | |
| Alanine SCHEMBL31263680 | 0.78 | SLC7A5 (0.43) | — | |
| SCHEMBL3477483 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0176253-B1 | PRODUCTION OF ETHYLENE OXIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-14 | — | — | EP | disclosed |
| US-4822900-A | Production of ethylene oxide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-04-18 | — | — | US | disclosed |
| EP-0176253-A1 | Production of ethylene oxide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-02 | — | — | EP | disclosed |
| US-4212772-A | SILVER, ALKALI METAL COMPOUNDS AND A CARRIER | BASF AKTIENGESELLSCHAFT (DE) | 1980-07-15 | — | — | US | disclosed |