⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9734921 | 0.73 | — | — | |
| SCHEMBL9527823 | 0.68 | MEN1 (0.38) | — | |
| SCHEMBL8996683 | 0.68 | ADRA2C (0.40) | — | |
| SCHEMBL8996578 | 0.68 | ADRA2C (0.40) | — | |
| SCHEMBL8996680 | 0.65 | FDPS (0.30) | — | |
| SCHEMBL22849028 | 0.64 | ADH1B (0.42) | — | |
| SCHEMBL8800493 | 0.64 | PABPC1 (0.36) | — | |
| SCHEMBL20991719 | 0.62 | ADH1B (0.39) | — | |
| SCHEMBL21001053 | 0.62 | THRA (0.31) | — | |
| SCHEMBL9635396 | 0.61 | KDM4E (0.34) | — |
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-5128368-A | Fungicides, bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |