⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1222022 | 0.74 | — | — | |
| SCHEMBL8933211 | 0.74 | — | — | |
| SCHEMBL196119 | 0.74 | — | — | |
| SCHEMBL9480894 | 0.72 | — | — | |
| SCHEMBL31010991 | 0.69 | ACHE (0.39) | — | |
| SCHEMBL6196530 | 0.69 | — | — | |
| SCHEMBL7482268 | 0.64 | CA1 (0.34) | — | |
| SCHEMBL9352309 | 0.64 | — | — | |
| SCHEMBL15109080 | 0.63 | TSHR (0.45) | — | |
| SCHEMBL514390 | 0.63 | ACHE (0.42) | — |
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-5192783-A | Fungicides for plants | ROHM AND HAAS COMPANY (US) | 1993-03-09 | — | — | US | disclosed |