⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9562194 | 1.00 | — | — | |
| SCHEMBL9562190 | 1.00 | — | — | |
| SCHEMBL50845 | 1.00 | — | — | |
| Formaldehyde SCHEMBL16633280 | 0.87 | — | — | |
| SCHEMBL8239798 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL1236243 | 0.79 | — | — | |
| SCHEMBL1591922 | 0.72 | ALOX15 (0.33) | — | |
| SCHEMBL13376965 | 0.72 | ALOX15 (0.35) | — | |
| SCHEMBL14535056 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL338722 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7560598-B2 | reacting a saturated, tertiary terpene alcohol with hypochloric acid under conditions effective to produce at least one oxidation product selected from the group consisting of cyclic ethers, chloroketones, and mixtures thereof | MILLENNIUM SPECIALTY CHEMICALS, INC. (US) | 2009-07-14 | — | — | US | disclosed |
| CN-101415665-A | Fragrance compositions from tertiary terpene alcohols | MILLENNIUM SPECIALTY CHEM INC (US) | 2009-04-22 | — | — | CN | disclosed |
| EP-2004582-A1 | FRAGRANCE COMPOSITIONS FROM TERTIARY TERPENE ALCOHOLS | Millennium Specialty Chemicals, Inc. (US) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007130218-A1 | FRAGRANCE COMPOSITIONS FROM TERTIARY TERPENE ALCOHOLS | MILLENNIUM SPECIALTY CHEMICALS, INC. (US) | 2007-11-15 | — | — | WO | disclosed |
| US-20070238629-A1 | Fragrance compositions from tertiary terpene alcohols | RENESSENZ LLC | 2007-10-11 | — | — | US | disclosed |
| US-4018842-A | Selective hydrogenation of α-pinene to cis-pinane | SCM CORPORATION (US) | 1977-04-19 | — | — | US | disclosed |