⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25794485 | 0.98 | — | — | |
| SCHEMBL25794508 | 0.90 | TDP1 (0.31) | — | |
| SCHEMBL5078151 | 0.87 | — | — | |
| SCHEMBL24098254 | 0.85 | — | — | |
| SCHEMBL2216409 | 0.85 | — | — | |
| SCHEMBL28725486 | 0.83 | — | — | |
| SCHEMBL19097572 | 0.82 | — | — | |
| SCHEMBL28962195 | 0.81 | NR1I2 (0.31) | — | |
| SCHEMBL17721323 | 0.81 | METAP2 (0.32) | — | |
| SCHEMBL31012070 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230221637-A1 | Holographic Recording Materials and Methods of Making Same | UNIV COLORADO REGENTS (US) | 2023-07-13 | — | — | US | disclosed |
| US-20230159678-A1 | METHODS OF POLYMERIZATION WITH AROMATIC THIOL INITIATORS | NATIONAL SCIENCE FOUNDATION | 2023-05-25 | — | — | US | disclosed |