⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13451511 | 0.74 | — | — | |
| SCHEMBL23333471 | 0.69 | — | — | |
| SCHEMBL15989511 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL16690675 | 0.65 | — | — | |
| SCHEMBL6850987 | 0.61 | GSK3A (0.44) | — | |
| SCHEMBL5358828 | 0.58 | — | — | |
| SCHEMBL133474 | 0.56 | GSK3A (0.39) | — | |
| SCHEMBL21371643 | 0.56 | CASP3 (0.38) | — | |
| SCHEMBL802733 | 0.54 | ALDH1A1 (0.40) | — | |
| SCHEMBL2601688 | 0.54 | — | — |
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-1991013069-A1 | HERBICIDAL PYRIDINE DERIVATIVES AND THEIR SALTS OF 3-(AMINOOXOACETYL)-2-(2-IMIDAZOLIN-2-YL) | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1991-09-05 | — | — | WO | disclosed |