⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5909191 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL5909195 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL1991366 | 0.77 | — | — | |
| SCHEMBL8613580 | 0.74 | — | — | |
| SCHEMBL7594449 | 0.72 | — | — | |
| SCHEMBL7594448 | 0.72 | — | — | |
| SCHEMBL28267603 | 0.67 | FAAH (0.43) | — | |
| SCHEMBL3640609 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL3368476 | 0.65 | — | — | |
| SCHEMBL545915 | 0.65 | — | — |
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-4962123-A | Industrial fungicides, bactericides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-10-09 | — | — | US | disclosed |