⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3496828 | 0.71 | — | — | |
| SCHEMBL16671400 | 0.69 | — | — | |
| SCHEMBL1454504 | 0.69 | — | — | |
| SCHEMBL7769006 | 0.65 | — | — | |
| SCHEMBL528963 | 0.65 | — | — | |
| SCHEMBL9019513 | 0.65 | — | — | |
| SCHEMBL2567201 | 0.65 | — | — | |
| SCHEMBL386176 | 0.62 | — | — | |
| SCHEMBL27997646 | 0.62 | — | — | |
| SCHEMBL9019516 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1144258-A | Method of soil decontamination | BASF AG (DE) | 1997-03-05 | — | — | CN | disclosed |
| EP-0618912-B1 | METHOD OF PRODUCING TETRAHYDRO-3,5-DIMETHYL-1,3,5-THIADIAZIN-2-THION POWDER SUBSTANTIALLY FREE OF DUST FINES | BASF AG (DE) | 1996-11-20 | — | — | EP | disclosed |
| US-5495017-A | Preparation of substantially dust-free tetrahydro-3,5-dimethyl-1,3,5-thiadiazine-2-thione granules | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-27 | — | — | US | disclosed |