⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16191200 | 0.86 | — | — | |
| SCHEMBL19809440 | 0.86 | EPHX1 (0.37) | — | |
| SCHEMBL30928250 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL22028154 | 0.83 | — | — | |
| SCHEMBL703554 | 0.83 | — | — | |
| SCHEMBL18498 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL14175433 | 0.83 | — | — | |
| SCHEMBL221315 | 0.83 | — | — | |
| SCHEMBL9815710 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL133604 | 0.81 | EPHX1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025016796-A1 | 3-(4-HYDROXYBUT-2-YNOXY)PROPANOIC ACID ESTER, AMIDE AND NITRILE DERIVATIVES AS CORROSION PROTECTION AGENTS | BASF SE (DE) | 2025-01-23 | — | — | WO | disclosed |
| WO-2025016798-A1 | 3-[2-(2-OXO-1,3-DIOXOLAN-4-YLIDENE)ETHOXY]PROPANOIC ACID DERIVATIVES AS PRECURSORS OF MONOMERS IN POLYMERISATIONS | BASF SE (DE) | 2025-01-23 | — | — | WO | disclosed |