⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19694297 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL4776844 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL620984 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL620985 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL620986 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL5186832 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL14359965 | 0.73 | AKR1B1 (0.31) | — | |
| SCHEMBL4780044 | 0.73 | ALOX15 (0.33) | — | |
| SCHEMBL1856831 | 0.72 | — | — | |
| SCHEMBL28985940 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4006109-A | Trimethyl nonene alcohols and perfume compositions | GIVAUDAN CORPORATION (US) | 1977-02-01 | — | — | US | claimed |
| EP-3694829-B1 | SYNTHESIS OF ALIPHATIC ALCOHOLS AS AROMA CHEMICALS | BASF SE (DE) | 2023-12-13 | — | — | EP | disclosed |
| US-20070274928-A1 | Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof | AROMAGEN CORPORATION | 2007-11-29 | — | — | US | disclosed |
| US-20070274928-A1 | Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof | AROMAGEN CORPORATION | 2007-11-29 | — | — | US | disclosed |
| US-4006109-A | Trimethyl nonene alcohols and perfume compositions | GIVAUDAN CORPORATION (US) | 1977-02-01 | — | — | US | disclosed |