⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11845047 | 0.80 | — | — | |
| SCHEMBL13279001 | 0.80 | — | — | |
| SCHEMBL10504952 | 0.76 | — | — | |
| SCHEMBL11417626 | 0.63 | — | — | |
| SCHEMBL9001250 | 0.62 | — | — | |
| SCHEMBL9001247 | 0.58 | — | — | |
| SCHEMBL13823092 | 0.57 | — | — | |
| SCHEMBL2540229 | 0.56 | — | — | |
| SCHEMBL2480054 | 0.56 | — | — | |
| SCHEMBL243965 | 0.56 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4201639-A | OXIDIZING A CYCLOHEXADIENE TO FORM A CYCLOHEXADIENONE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-05-06 | — | — | US | disclosed |
| US-4186149-A | Processes for preparing cyclohexadiene derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-01-29 | — | — | US | disclosed |
| US-4154696-A | TETRAALKYL-2,5-CYCLOHEXADIENE-1-ONE, PERFUME | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4154763-A | ORGANOLEPTIC, FLAVOR, ODOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4135520-A | CIGARETTES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-4130508-A | Perfume compositions containing cyclohexadiene derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-12-19 | — | — | US | disclosed |
| US-4126641-A | KETAL, HYDROLYSIS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4126140-A | Smoking tobacco and smoking tobacco flavoring compositions containing hydroxy cyclohexenone derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4126641-A | KETAL, HYDROLYSIS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4119574-A | 4-Hydroxy-2,4,6,6-tetramethyl cyclohex-2-en-1-one perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-10 | — | — | US | disclosed |
| US-4084009-A | 4-HYDROXY-2,4,6,6-TETRAMETHYLCYCLOHEX-2-ENE-1-ONE, ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-04-11 | — | — | US | disclosed |
| US-4076854-A | ADJUVANTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-02-28 | — | — | US | disclosed |