⚠ 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 SCHEMBL8627485 | 0.70 | — | — | |
| Isopropyl Alcohol SCHEMBL8623777 | 0.67 | — | — | |
| Isopropyl Alcohol SCHEMBL8622993 | 0.64 | — | — | |
| Isopropyl Alcohol SCHEMBL8631580 | 0.63 | ESR2 (0.35) | — | |
| SCHEMBL6797721 | 0.51 | — | — | |
| SCHEMBL21610981 | 0.49 | — | — | |
| Isopropyl Alcohol SCHEMBL4962719 | 0.49 | — | — | |
| Isopropyl Alcohol SCHEMBL29289463 | 0.49 | — | — | |
| Isopropyl Alcohol SCHEMBL430418 | 0.49 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL27656900 | 0.49 | ALDH1A1 (0.86) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0848015-A1 | Catalyst for the production of functionalized polymers | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |