⚠ 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 SCHEMBL8625290 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL8621836 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL8625676 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL8632425 | 0.67 | — | — | |
| Isopropyl Alcohol SCHEMBL8628614 | 0.65 | LTA4H (0.33) | — | |
| SCHEMBL8360657 | 0.65 | — | — | |
| Isopropyl Alcohol SCHEMBL8622140 | 0.63 | — | — | |
| SCHEMBL7787249 | 0.60 | — | — | |
| SCHEMBL3852416 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL7622518 | 0.58 | — | — |
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 |