⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9438185 | 1.00 | — | — | |
| SCHEMBL9438178 | 1.00 | — | — | |
| SCHEMBL1811809 | 0.80 | — | — | |
| SCHEMBL7026519 | 0.80 | — | — | |
| SCHEMBL6899259 | 0.80 | — | — | |
| SCHEMBL19225747 | 0.79 | — | — | |
| SCHEMBL28294736 | 0.77 | — | — | |
| SCHEMBL22123329 | 0.73 | TRPA1 (0.39) | — | |
| SCHEMBL22123328 | 0.73 | TRPA1 (0.39) | — | |
| SCHEMBL11386728 | 0.73 | TSHR (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622916-A | PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| US-5296503-A | Administering orally | BAYER AKTIENGESELLSCHAFT (DE) | 1994-03-22 | — | — | US | disclosed |
| US-5270340-A | Substituted 2-cyclohexen-1-yl-amine fungicidal and herbicidal agents | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-14 | — | — | US | disclosed |