⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21756750 | 0.69 | BCL2 (0.31) | — | |
| SCHEMBL11792052 | 0.66 | POLB (0.39) | — | |
| SCHEMBL7304361 | 0.64 | — | — | |
| SCHEMBL6085256 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL15188991 | 0.60 | GRM4 (0.35) | — | |
| SCHEMBL6085259 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL6085264 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL10433083 | 0.60 | — | — | |
| SCHEMBL12597887 | 0.60 | — | — | |
| SCHEMBL10139309 | 0.60 | — | — |
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-1802197-B1 | FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS | BAYER IP GMBH (DE) | 2018-02-28 | — | — | EP | disclosed |