⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11077928 | 1.00 | — | — | |
| SCHEMBL11077940 | 0.89 | MEN1 (0.31) | — | |
| SCHEMBL11077931 | 0.89 | MEN1 (0.31) | — | |
| SCHEMBL10625416 | 0.86 | — | — | |
| SCHEMBL10625423 | 0.86 | — | — | |
| SCHEMBL20483830 | 0.78 | — | — | |
| SCHEMBL20483831 | 0.78 | — | — | |
| SCHEMBL9500358 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL10448620 | 0.70 | MEN1 (0.38) | — | |
| SCHEMBL1176321 | 0.69 | ALDH1A1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4485019-A | Method of augmenting or enhancing the aroma of perfumed articles using alkyl-4-cyclooctenyl carbonates | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-11-27 | — | — | US | disclosed |
| US-4452730-A | REFLUXING 1,5-CYCLOOCTADIENE AND FORMIC ACID TO PRODUCE MIXTURE, REACTING WITH DIALKYL CARBONATE IN PRESENCE OF ALKOXIDE CATALYST | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4397789-A | DETERGENTS; SOFTENERS; TOILETRIES; COSMETICS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-08-09 | — | — | US | disclosed |