⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9509513 | 1.00 | — | — | |
| SCHEMBL9509508 | 1.00 | — | — | |
| SCHEMBL9785025 | 0.83 | — | — | |
| SCHEMBL9785044 | 0.83 | — | — | |
| SCHEMBL9785029 | 0.70 | HPGD (0.32) | — | |
| SCHEMBL9785035 | 0.70 | HPGD (0.32) | — | |
| SCHEMBL9785079 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL9785082 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL9802753 | 0.65 | — | — | |
| SCHEMBL10824184 | 0.64 | CYP2C19 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4988734-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |