⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL584981 | 1.00 | — | — | |
| SCHEMBL584980 | 1.00 | — | — | |
| SCHEMBL11689911 | 0.89 | — | — | |
| SCHEMBL27810881 | 0.82 | — | — | |
| SCHEMBL27810821 | 0.76 | SPHK2 (0.33) | — | |
| SCHEMBL10071456 | 0.75 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL163447 | 0.74 | — | — | |
| SCHEMBL45853 | 0.74 | — | — | |
| SCHEMBL163446 | 0.74 | — | — | |
| SCHEMBL13545604 | 0.74 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982295-B1 | Ethers; their use as perfuming or flavouring agents; their preparation | FIRMENICH & CIE (CH) | 2002-11-06 | — | — | EP | claimed |
| US-6129941-A | MADE BY REDUCING CIS-2-ETHYL-3-(2-METHOXYETHYL)THIIRANE TO 1-METHOXY-3-HEXANETHIOL; CONFER AN ODOR AND FLAVOR EFFECT EXTREMELY POWERFUL OF THE CLARY-SAGE TYPE; ADDING TO ENHANCE OR MODIFY THE ODOR OR FLAVOR OF A PERFUMING COMPOSITION | FIRMENICH SA (CH) | 2000-10-10 | — | — | US | claimed |
| EP-0982295-A2 | Ethers; their use as perfuming or flavouring agents; their preparation | FIRMENICH SA (CH) | 2000-03-01 | — | — | EP | claimed |
| US-8765204-B2 | Carbonothioates as flavours and fragrances | GIVAUDAN S.A. (CH) | 2014-07-01 | — | — | US | disclosed |
| EP-2417105-B1 | CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES | GIVAUDAN SA (CH) | 2013-04-03 | — | — | EP | disclosed |
| US-20120052178-A1 | Carbonothioates As Flavours and Fragrances | GIVAUDAN SA (CH) | 2012-03-01 | — | — | US | disclosed |
| EP-2417105-A1 | CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES | Givaudan SA (CH) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010115920-A1 | CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES | GIVAUDAN SA (CH) | 2010-10-14 | — | — | WO | disclosed |
| EP-0982295-B1 | Ethers; their use as perfuming or flavouring agents; their preparation | FIRMENICH & CIE (CH) | 2002-11-06 | — | — | EP | disclosed |
| US-6129941-A | MADE BY REDUCING CIS-2-ETHYL-3-(2-METHOXYETHYL)THIIRANE TO 1-METHOXY-3-HEXANETHIOL; CONFER AN ODOR AND FLAVOR EFFECT EXTREMELY POWERFUL OF THE CLARY-SAGE TYPE; ADDING TO ENHANCE OR MODIFY THE ODOR OR FLAVOR OF A PERFUMING COMPOSITION | FIRMENICH SA (CH) | 2000-10-10 | — | — | US | disclosed |
| EP-0982295-A2 | Ethers; their use as perfuming or flavouring agents; their preparation | FIRMENICH SA (CH) | 2000-03-01 | — | — | EP | disclosed |