⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13451839 | 1.00 | — | — | |
| SCHEMBL13018033 | 1.00 | — | — | |
| SCHEMBL14450741 | 1.00 | — | — | |
| SCHEMBL8720661 | 1.00 | — | — | |
| SCHEMBL8720729 | 1.00 | — | — | |
| SCHEMBL8718453 | 1.00 | — | — | |
| SCHEMBL2302484 | 1.00 | — | — | |
| SCHEMBL13017712 | 1.00 | — | — | |
| SCHEMBL17850799 | 0.94 | — | — | |
| SCHEMBL12473315 | 0.92 | CA1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4230060-A1 | SMOKING PRODUCT CONTAINING NOVEL FLAVORING AGENT | KT & G Corporation (KR) | 2023-08-23 | — | — | EP | disclosed |
| WO-2004085344-A2 | PRODUCTION OF OXY-MICHAEL ADDUCTS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD (GB) | 2004-10-07 | — | — | WO | disclosed |