⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21173168 | 0.99 | — | — | |
| SCHEMBL21173165 | 0.97 | — | — | |
| SCHEMBL31040924 | 0.94 | — | — | |
| SCHEMBL21173153 | 0.92 | — | — | |
| SCHEMBL21173263 | 0.92 | — | — | |
| SCHEMBL21173166 | 0.92 | KDM4E (0.33) | — | |
| SCHEMBL29924107 | 0.91 | — | — | |
| SCHEMBL21173156 | 0.91 | — | — | |
| SCHEMBL21173261 | 0.91 | — | — | |
| SCHEMBL21173154 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019137354-A1 | THIOPHENE-BASED FUSED AROMATIC SYSTEMS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2019-07-18 | — | — | WO | disclosed |