⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL89327 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27731613 | 0.94 | — | — | |
| SCHEMBL29053757 | 0.87 | GSK3A (0.55) | — | |
| SCHEMBL7447684 | 0.78 | — | — | |
| SCHEMBL1035336 | 0.70 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL49488 | 0.69 | — | — | |
| SCHEMBL279748 | 0.69 | — | — | |
| SCHEMBL586833 | 0.67 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL31482438 | 0.67 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL9464948 | 0.67 | — | — |
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-8242289-B2 | Alkyl-substituted tetrahydropyrans as flavoring substances | SYMRISE AG (DE) | 2012-08-14 | — | — | US | claimed |
| EP-2168957-B1 | Alkyl-substituted tetrahydropyranes as aromatic materials | SYMRISE AG (DE) | 2012-02-15 | — | — | EP | claimed |