⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11256571 | 0.93 | — | — | |
| SCHEMBL11263092 | 0.90 | RIPK1 (0.33) | — | |
| SCHEMBL11247915 | 0.86 | PTGES (0.34) | — | |
| SCHEMBL11252082 | 0.86 | — | — | |
| SCHEMBL11253794 | 0.82 | — | — | |
| SCHEMBL11249401 | 0.82 | CACNA1H (0.31) | — | |
| SCHEMBL11245386 | 0.81 | AMY1A (0.33) | — | |
| SCHEMBL11258492 | 0.78 | — | — | |
| SCHEMBL11260493 | 0.78 | MPL (0.36) | — | |
| SCHEMBL11247374 | 0.78 | — | — |
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-4314844-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1982-02-09 | — | — | US | disclosed |