⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11821885 | 0.78 | — | — | |
| SCHEMBL10515734 | 0.70 | — | — | |
| SCHEMBL14539836 | 0.65 | — | — | |
| SCHEMBL11823010 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL15902771 | 0.61 | TSHR (0.38) | — | |
| SCHEMBL14101397 | 0.61 | — | — | |
| SCHEMBL8535654 | 0.59 | — | — | |
| SCHEMBL11850550 | 0.59 | — | — | |
| SCHEMBL10514098 | 0.58 | — | — | |
| SCHEMBL7428860 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0186026-B1 | ASYMMETRIC DIHYDRODITHIAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PARFUMES AND AROMAS | HAARMANN & REIMER GMBH (DE) | 1989-04-19 | — | — | EP | disclosed |
| US-4647662-A | Unsymmetrical dihydrodithiazines, and their use as fragrances and flavorings | HAARMANN & REIMER GMBH (DE) | 1987-03-03 | — | — | US | disclosed |
| EP-0186026-A2 | Asymmetric dihydrodithiazines, process for their preparation and their use as parfumes and aromas | HAARMANN & REIMER GMBH (DE) | 1986-07-02 | — | — | EP | disclosed |