⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7789370 | 1.00 | — | — | |
| SCHEMBL7789435 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL7784020 | 0.75 | — | — | |
| SCHEMBL7784014 | 0.70 | — | — | |
| SCHEMBL2426707 | 0.64 | ATP1A1 (0.31) | — | |
| SCHEMBL3117848 | 0.64 | — | — | |
| SCHEMBL7783618 | 0.64 | — | — | |
| SCHEMBL14861162 | 0.63 | — | — | |
| SCHEMBL7792410 | 0.61 | — | — | |
| SCHEMBL7784053 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0801049-B1 | Cyclopentanebutanol derivatives as odorants | GIVAUDAN SA (CH) | 2001-11-21 | — | — | EP | claimed |
| EP-0801049-A2 | Cyclopentanebutanol derivatives as odorants | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-10-15 | — | — | EP | claimed |
| EP-0801049-B1 | Cyclopentanebutanol derivatives as odorants | GIVAUDAN SA (CH) | 2001-11-21 | — | — | EP | disclosed |
| US-6284929-B1 | CYCLIC UNSATURATED ALDEHYDES OR KETONES FOR ODORS | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-09-04 | — | — | US | disclosed |
| US-6239314-B1 | ORGANOLEPTIC COMPOUND | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-05-29 | — | — | US | disclosed |
| US-6235943-B1 | CYCLIC UNSATURATED ALDEHYDES OR KETONES | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-05-22 | — | — | US | disclosed |
| US-6162954-A | Odorants | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2000-12-19 | — | — | US | disclosed |
| US-5929291-A | SYNTHETIC PERFUME | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 1999-07-27 | — | — | US | disclosed |
| EP-0801049-A2 | Cyclopentanebutanol derivatives as odorants | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-10-15 | — | — | EP | disclosed |