⚠ 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 SCHEMBL8623777 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL8631580 | 0.84 | ESR2 (0.35) | — | |
| Isopropyl Alcohol SCHEMBL8627154 | 0.74 | — | — | |
| Isopropyl Alcohol SCHEMBL8632425 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL8627485 | 0.67 | — | — | |
| Isopropyl Alcohol SCHEMBL8626182 | 0.66 | — | — | |
| Carbon Monoxide SCHEMBL11589538 | 0.65 | KIF11 (0.31) | — | |
| P-Xylene SCHEMBL8984454 | 0.64 | ACHE (0.61) | — | |
| SCHEMBL22899224 | 0.56 | ACHE (0.34) | — | |
| SCHEMBL12807984 | 0.55 | PTPN5 (0.47) | — |
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 |