⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8863129 | 0.82 | SLC22A6 (0.33) | — | |
| SCHEMBL3773161 | 0.81 | — | — | |
| SCHEMBL15910178 | 0.74 | SLC22A6 (0.43) | — | |
| SCHEMBL322027 | 0.72 | — | — | |
| SCHEMBL143521 | 0.72 | — | — | |
| SCHEMBL19512271 | 0.72 | — | — | |
| SCHEMBL8752294 | 0.72 | — | — | |
| SCHEMBL679867 | 0.72 | — | — | |
| SCHEMBL28308009 | 0.72 | SLC22A6 (0.41) | — | |
| SCHEMBL20276342 | 0.70 | SLC22A6 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4968687-A | AGRICULTURAL FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | claimed |