⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7107694 | 0.79 | — | — | |
| SCHEMBL7112315 | 0.79 | — | — | |
| SCHEMBL11811209 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL30905984 | 0.71 | GABBR2 (0.43) | — | |
| SCHEMBL8583411 | 0.71 | FDPS (0.46) | — | |
| SCHEMBL11799375 | 0.71 | — | — | |
| SCHEMBL3806259 | 0.71 | — | — | |
| Phosphoric Acid SCHEMBL3835102 | 0.71 | CA1 (0.45) | — | |
| SCHEMBL146464 | 0.71 | GABBR2 (0.43) | — | |
| SCHEMBL11857053 | 0.71 | — | — |
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-4629655-A | Size composition | A. E. STALEY MANUFACTURING COMPANY (US) | 1986-12-16 | — | — | US | disclosed |