⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26301451 | 0.81 | ICMT (0.30) | — | |
| SCHEMBL26301483 | 0.78 | NR3C1 (0.31) | — | |
| SCHEMBL26301453 | 0.76 | — | — | |
| SCHEMBL26301484 | 0.76 | GABRA1 (0.31) | — | |
| SCHEMBL26301183 | 0.76 | SCN9A (0.33) | — | |
| SCHEMBL25535943 | 0.75 | GRM2 (0.30) | — | |
| SCHEMBL26301244 | 0.75 | — | — | |
| SCHEMBL26301326 | 0.73 | — | — | |
| SCHEMBL25518264 | 0.73 | ACHE (0.36) | — | |
| SCHEMBL26782097 | 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-20230295204-A1 | METAL COMPLEX AND USE THEREOF | GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) | 2023-09-21 | — | — | US | disclosed |