⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193559 | 0.78 | — | — | |
| SCHEMBL1524777 | 0.75 | — | — | |
| SCHEMBL306968 | 0.75 | — | — | |
| SCHEMBL1234789 | 0.75 | — | — | |
| SCHEMBL10482218 | 0.73 | — | — | |
| SCHEMBL925412 | 0.72 | — | — | |
| Bromide SCHEMBL11612000 | 0.72 | — | — | |
| SCHEMBL7710286 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7710293 | 0.72 | — | — | |
| SCHEMBL7095184 | 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-7771769-B2 | Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula R1-S-R2 in which R1 and R2 represent a specific atom or group | QUEST INTERNATIONAL B.V. (NL) | 2010-08-10 | — | — | US | disclosed |
| US-20100143563-A1 | FLAVOURING A FOODSTUFF BY INCORPORATING AN EFFECTIVE AMOUNT OF AT LEAST ONE COMPOUND OF THE FORMULA R1-S-R2 IN WHICH R1 AND R2 REPRESENT A SPECIFIC ATOM OR GROUP | QUEST INTERNATIONAL B.V. (NL) | 2010-06-10 | — | — | US | disclosed |
| EP-1692952-A2 | Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups | QUEST INTERNATIONAL B.V. (NL) | 2006-08-23 | — | — | EP | disclosed |
| US-20040052914-A1 | Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula r1-s-r2 in which r1 and r2 represent a specific atom or group | QUEST INTERNATIONAL B.V. (NL) | 2004-03-18 | — | — | US | disclosed |
| WO-2001076390-A2 | FLAVOURING A FOODSTUFF WITH COMPOUNDS CONTAINING A SULFUR ATOM LINKED TO TWO SPECIFIC ATOMS OR GROUPS | QUEST INTERNATIONAL B.V. (NL) | 2001-10-18 | — | — | WO | disclosed |
| EP-1142490-A1 | Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups | QUEST INTERNATIONAL B.V. (NL) | 2001-10-10 | — | — | EP | disclosed |