⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2769573 | 0.67 | — | — | |
| SCHEMBL775574 | 0.65 | — | — | |
| Diallyldisulfide SCHEMBL5531609 | 0.65 | TRPA1 (0.69) | — | |
| SCHEMBL8871841 | 0.64 | — | — | |
| SCHEMBL4372645 | 0.64 | — | — | |
| SCHEMBL9009875 | 0.63 | — | — | |
| SCHEMBL9354627 | 0.60 | — | — | |
| SCHEMBL27580374 | 0.60 | — | — | |
| SCHEMBL14659491 | 0.58 | — | — | |
| SCHEMBL3628369 | 0.57 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0518724-B1 | Dithiane substituted propenals and process for their preparation | OREAL (FR) | 1996-11-13 | — | — | EP | claimed |
| EP-0518724-A1 | Dithiane substituted propenals and process for their preparation | L'OREAL (FR) | 1992-12-16 | — | — | EP | claimed |
| US-20090247420-A1 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | NATIONAL SCIENCE FOUNDATION | 2009-10-01 | — | — | US | disclosed |
| WO-2007070761-A2 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) | 2007-06-21 | — | — | WO | disclosed |
| EP-0518724-B1 | Dithiane substituted propenals and process for their preparation | OREAL (FR) | 1996-11-13 | — | — | EP | disclosed |
| US-5296611-A | Propenals substituted with a dithiane ring and processes for the preparation of these propenals | L'OREAL (FR) | 1994-03-22 | — | — | US | disclosed |
| EP-0518724-A1 | Dithiane substituted propenals and process for their preparation | L'OREAL (FR) | 1992-12-16 | — | — | EP | disclosed |