⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16116846 | 0.52 | — | — | |
| SCHEMBL8176504 | 0.48 | MEN1 (0.43) | — | |
| SCHEMBL5488795 | 0.46 | — | — | |
| SCHEMBL2811137 | 0.46 | — | — | |
| SCHEMBL1302787 | 0.46 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.43 | — | — | |
| SCHEMBL1332087 | 0.41 | — | — | |
| SCHEMBL15258899 | 0.41 | — | — | |
| SCHEMBL5849008 | 0.41 | ALDH1A1 (0.46) | — | |
| SCHEMBL7079561 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3997552-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-14 | — | — | US | claimed |
| US-3997552-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-14 | — | — | US | disclosed |