Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isopropyl Alcohol. 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28151341 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL268429 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28150454 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL10384904 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL4335746 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL25265536 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.87 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1094058-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2003-09-03 | — | — | EP | disclosed |
| US-6248925-B1 | REACTING A NITRILE WITH A PRIMARY OR SECONDARY AMINE EFFECTING CONVERSION OF THE NITRILE GROUP TO THE CORRESPONDING SECONDARY OR TERTIARY AMINE; PROMOTIONALLY EFFECTIVE AMOUNT OF A LITHIUM COMPOUND OR SODIUM CHLORIDE. | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-19 | — | — | US | disclosed |
| EP-1094058-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-04-25 | — | — | EP | disclosed |