⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3995273 | 1.00 | — | — | |
| SCHEMBL3992170 | 0.73 | RARB (0.32) | — | |
| SCHEMBL3992176 | 0.73 | RARB (0.32) | — | |
| SCHEMBL9240438 | 0.70 | — | — | |
| SCHEMBL3504808 | 0.69 | CYP1A2 (0.51) | — | |
| SCHEMBL1040060 | 0.66 | — | — | |
| SCHEMBL1043873 | 0.65 | — | — | |
| SCHEMBL3661832 | 0.60 | — | — | |
| SCHEMBL10851929 | 0.59 | CYP1A2 (0.33) | — | |
| SCHEMBL3659495 | 0.59 | — | — |
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-20090298950-A1 | CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2009-12-03 | — | — | US | claimed |
| EP-2063964-A1 | CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2009-06-03 | — | — | EP | claimed |
| WO-2008017183-A1 | CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2008-02-14 | — | — | WO | claimed |
| US-20090298950-A1 | CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2009-12-03 | — | — | US | disclosed |
| EP-2063964-A1 | CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008017183-A1 | CYCLOPENTANE/CYCLOPENTENE ALDEHYDE OR KETONE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2008-02-14 | — | — | WO | disclosed |