⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31099417 | 0.85 | FFAR3 (0.32) | — | |
| SCHEMBL11006301 | 0.82 | NPSR1 (0.35) | — | |
| SCHEMBL28523885 | 0.75 | CYP2C19 (0.39) | — | |
| SCHEMBL27967348 | 0.75 | CYP2C19 (0.39) | — | |
| SCHEMBL16370066 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL11006305 | 0.74 | NPSR1 (0.38) | — | |
| SCHEMBL14742645 | 0.73 | FFAR3 (0.32) | — | |
| SCHEMBL25357715 | 0.73 | — | — | |
| SCHEMBL7123682 | 0.73 | NSD2 (0.38) | — | |
| SCHEMBL29955088 | 0.73 | NSD2 (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-4537901-A | MITICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1985-08-27 | — | — | US | disclosed |