⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20629579 | 0.80 | EGFR (0.30) | — | |
| SCHEMBL28505111 | 0.78 | — | — | |
| SCHEMBL10282953 | 0.75 | CHRNB2 (0.38) | — | |
| SCHEMBL22931267 | 0.73 | — | — | |
| SCHEMBL22642138 | 0.72 | — | — | |
| SCHEMBL21082791 | 0.71 | — | — | |
| SCHEMBL25107962 | 0.71 | — | — | |
| SCHEMBL13962808 | 0.71 | — | — | |
| SCHEMBL13024642 | 0.71 | — | — | |
| SCHEMBL21170786 | 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-20230241597-A1 | PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS | TEXAS TECH UNIVERSITY SYSTEM | 2023-08-03 | — | — | US | disclosed |