⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22006126 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL12879484 | 0.76 | CYP1A2 (0.36) | — | |
| SCHEMBL27520532 | 0.73 | — | — | |
| SCHEMBL15864532 | 0.66 | CYP1A2 (0.33) | — | |
| SCHEMBL846790 | 0.66 | CYP1A2 (0.39) | — | |
| SCHEMBL5499988 | 0.65 | USP2 (0.30) | — | |
| SCHEMBL3894331 | 0.64 | CYP1A2 (0.37) | — | |
| SCHEMBL27754385 | 0.64 | MGAM (0.31) | — | |
| SCHEMBL22225552 | 0.64 | — | — | |
| SCHEMBL8462652 | 0.64 | — | — |
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-5466554-A | Toner compositions with modified polyester resins | XEROX CORPORATION (US) | 1995-11-14 | — | — | US | disclosed |