⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11269406 | 1.00 | — | — | |
| SCHEMBL11534046 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL11534043 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL11258728 | 0.71 | RAB9A (0.51) | — | |
| SCHEMBL20601970 | 0.71 | RAB9A (0.51) | — | |
| SCHEMBL8154779 | 0.71 | RAB9A (0.51) | — | |
| SCHEMBL8154780 | 0.71 | RAB9A (0.51) | — | |
| SCHEMBL12826108 | 0.69 | — | — | |
| SCHEMBL19155702 | 0.69 | — | — | |
| SCHEMBL2343690 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0007582-B1 | COMPOSITIONS AND PROCESS FOR REINFORCING, MODIFYING OR IMPROVING THE ORGANOLEPTIC PROPERTIES OF TOBACCO PRODUCTS AND COMPOUNDS USEFUL THEREFOR | L. GIVAUDAN & CIE Société Anonyme (CH) | 1981-11-25 | — | — | EP | claimed |
| US-4183363-A | Tobacco compositions flavored with 2-hydroxymethylenecyclohexanones | GIVAUDAN CORPORATION (US) | 1980-01-15 | — | — | US | claimed |
| US-4313007-A | ENHANCING ORGANOLEPTIC PROPERTIES OF TOBACCO | GIVAUDAN CORPORATION (US) | 1982-01-26 | — | — | US | disclosed |
| EP-0007582-B1 | COMPOSITIONS AND PROCESS FOR REINFORCING, MODIFYING OR IMPROVING THE ORGANOLEPTIC PROPERTIES OF TOBACCO PRODUCTS AND COMPOUNDS USEFUL THEREFOR | L. GIVAUDAN & CIE Société Anonyme (CH) | 1981-11-25 | — | — | EP | disclosed |
| EP-0007582-A2 | Compositions and process for reinforcing, modifying or improving the organoleptic properties of tobacco products and compounds useful therefor | L. GIVAUDAN & CIE Société Anonyme (CH) | 1980-02-06 | — | — | EP | disclosed |
| US-4183363-A | Tobacco compositions flavored with 2-hydroxymethylenecyclohexanones | GIVAUDAN CORPORATION (US) | 1980-01-15 | — | — | US | disclosed |