⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31325992 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL31325975 | 0.73 | HPGD (0.39) | — | |
| SCHEMBL21568749 | 0.70 | MEN1 (0.40) | — | |
| SCHEMBL31325988 | 0.69 | CYP1A2 (0.40) | — | |
| SCHEMBL8516939 | 0.68 | — | — | |
| SCHEMBL31325974 | 0.68 | DGKA (0.39) | — | |
| SCHEMBL31325980 | 0.68 | EPHX2 (0.31) | — | |
| SCHEMBL22123899 | 0.65 | TDP1 (0.49) | — | |
| SCHEMBL22165460 | 0.65 | — | — | |
| SCHEMBL31325977 | 0.64 | POLB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |