⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27513464 | 0.89 | — | — | |
| SCHEMBL27206851 | 0.86 | — | — | |
| SCHEMBL28176673 | 0.86 | — | — | |
| SCHEMBL7060717 | 0.86 | — | — | |
| SCHEMBL27920656 | 0.86 | — | — | |
| SCHEMBL513049 | 0.85 | — | — | |
| SCHEMBL28842895 | 0.85 | — | — | |
| SCHEMBL28200816 | 0.83 | — | — | |
| SCHEMBL28767289 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL8489556 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100490976-C | Bionic composite catalyst system for selective oxidation of arene | DALIAN CHEMICAL PHYSICS INST (CN) | 2009-05-27 | — | — | CN | disclosed |
| CN-101020144-A | Bionic composite catalyst system for selective oxidation of arene | DALIAN CHEMICAL PHYSICS INST (CN) | 2007-08-22 | — | — | CN | disclosed |