⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3083310 | 0.81 | — | — | |
| SCHEMBL1696594 | 0.78 | — | — | |
| SCHEMBL22129330 | 0.73 | — | — | |
| SCHEMBL8766725 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL2162732 | 0.71 | — | — | |
| SCHEMBL13625819 | 0.71 | — | — | |
| SCHEMBL27487034 | 0.71 | — | — | |
| SCHEMBL28386752 | 0.71 | — | — | |
| SCHEMBL24492 | 0.69 | — | — | |
| SCHEMBL1696591 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4161293-B1 | FLAVOURING COMPOSITION WITH BALANCED TASTE PROFILE | SYMRISE AG (DE) | 2024-01-31 | — | — | EP | claimed |
| EP-4161291-B1 | FLAVORING COMPOSITIONS FOR TASTE IMPROVEMENT | SYMRISE AG (DE) | 2023-11-01 | — | — | EP | claimed |
| CN-102459288-B | Organosilicon compound, and rubber composition, tire, primer composition, coating composition, and adhesive using same | BRIDGESTONE CORP | 2014-09-03 | — | — | CN | disclosed |
| WO-1996025425-A1 | PURIFIED TETANUS TOXOID AND TOXIN | MASSACHUSETTS HEALTH RESEARCH INSTITUTE, INC. (US) | 1996-08-22 | — | — | WO | disclosed |
| EP-0217804-A1 | ANALOGS OF SUBSTANCES P. | ENICHEM SPA (IT) | 1987-04-15 | — | — | EP | disclosed |