⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25583920 | 1.00 | — | — | |
| SCHEMBL20756733 | 0.79 | — | — | |
| SCHEMBL25699982 | 0.76 | — | — | |
| SCHEMBL19723360 | 0.75 | — | — | |
| SCHEMBL11049983 | 0.73 | MAOA (0.30) | — | |
| SCHEMBL16629785 | 0.71 | — | — | |
| SCHEMBL14223308 | 0.69 | — | — | |
| SCHEMBL11052599 | 0.69 | MAOA (0.41) | — | |
| SCHEMBL11048993 | 0.67 | MAOA (0.45) | — | |
| SCHEMBL11047729 | 0.67 | MAOA (0.45) | — |
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 2 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 |
| 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 |