⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31502635 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL4435768 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL24659006 | 0.67 | — | — | |
| SCHEMBL11225147 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL8339158 | 0.65 | ACE2 (0.32) | — | |
| SCHEMBL31502615 | 0.65 | PTPN2 (0.33) | — | |
| SCHEMBL11224264 | 0.64 | TRPA1 (0.32) | — | |
| SCHEMBL7123828 | 0.64 | — | — | |
| SCHEMBL22125286 | 0.64 | DUSP3 (0.36) | — | |
| SCHEMBL31502662 | 0.63 | LMNA (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025042871-A1 | ENCODING CYCLIC TERPENOIDS INTO ISOMERIC MODULAR SUBSTRATES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2025-02-27 | — | — | WO | disclosed |
| US-6177400-B1 | IMPROVING OR MODIFYING THE ODOR OF A PERFUME BY ADDING 4,6,6-TRIMETHYL-1,(3)-CYCLOHEX(ADI)ENE 1-SUBSTITUTED WITH ESTERS, ETHERS OR KETONES, SUCH AS (E)-1-(4,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-2-BUTEN-1-ONE | FIRMENICH SA (CH) | 2001-01-23 | — | — | US | disclosed |
| EP-0955290-A1 | Unsaturated ketones and their use in perfumery | FIRMENICH SA (CH) | 1999-11-10 | — | — | EP | disclosed |