⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5696112 | 1.00 | — | — | |
| SCHEMBL21834469 | 0.89 | — | — | |
| SCHEMBL21796222 | 0.89 | — | — | |
| SCHEMBL272972 | 0.75 | TRPA1 (0.35) | — | |
| SCHEMBL272973 | 0.75 | TRPA1 (0.35) | — | |
| Formic Acid SCHEMBL29017531 | 0.69 | BTN3A1 (0.34) | — | |
| Butadiene SCHEMBL21670736 | 0.63 | KMT2A (0.52) | — | |
| SCHEMBL25416695 | 0.62 | KMT2A (0.56) | — | |
| SCHEMBL18493449 | 0.62 | KMT2A (0.56) | — | |
| SCHEMBL5598146 | 0.62 | KMT2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670420-A1 | USE OF 3-CYCLOHEXENYL-1-PROPANOL AS A PERFUME | Symrise GmbH & Co. KG (DE) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005030156-A1 | USE OF 3-CYCLOHEXENYL-1-PROPANOL AS A PERFUME | SYMRISE GMBH & CO. KG (DE) | 2005-04-07 | — | — | WO | disclosed |