⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13068622 | 0.64 | CHRM2 (0.36) | — | |
| SCHEMBL17206989 | 0.53 | CHRNB2 (0.55) | — | |
| SCHEMBL1013400 | 0.51 | — | — | |
| SCHEMBL3691151 | 0.49 | — | — | |
| SCHEMBL7363363 | 0.49 | — | — | |
| SCHEMBL9769061 | 0.49 | — | — | |
| SCHEMBL1013399 | 0.48 | — | — | |
| SCHEMBL11993132 | 0.48 | — | — | |
| SCHEMBL5150721 | 0.48 | — | — | |
| SCHEMBL27508521 | 0.48 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4264084-A | — | — | None | — | — | JP | disclosed |
| EP-0482448-B1 | DIMETHYLFURYL-DIHYDRO-1,3,5-DITHIAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE | HAARMANN & REIMER GMBH (DE) | 1993-04-21 | — | — | EP | disclosed |
| US-5166342-A | Flavors for coffee or mocha for beverages, candies or baked goods | HAARMANN & REIMER (DE) | 1992-11-24 | — | — | US | disclosed |
| JP-H04264084-A | DIMETHYLFURYL-DIHYDRO-1,3,5-THIAZINES, THEIR PRODUCTION AND USE THEREOF | HAARMANN & REIMER GMBH | 1992-09-18 | — | — | JP | disclosed |
| EP-0482448-A1 | Dimethylfuryl-dihydro-1,3,5-dithiazines, process for their preparation and their use | HAARMANN & REIMER GMBH (DE) | 1992-04-29 | — | — | EP | disclosed |