⚠ 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 | |
|---|---|---|---|---|
| Methylsulfanylmethane SCHEMBL5596043 | 0.76 | — | — | |
| SCHEMBL10082807 | 0.69 | — | — | |
| SCHEMBL17029569 | 0.67 | — | — | |
| SCHEMBL677890 | 0.67 | — | — | |
| SCHEMBL11960736 | 0.67 | — | — | |
| SCHEMBL1454844 | 0.67 | — | — | |
| SCHEMBL1004669 | 0.67 | — | — | |
| SCHEMBL23770 | 0.64 | — | — | |
| SCHEMBL5839330 | 0.64 | — | — | |
| SCHEMBL4444498 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009113098-A2 | A PROCESS FOR THE PREPARATION OF 2-CYANOIMINO-1,3-THIAZOLIDINE | HIKAL LIMITED (IN) | 2009-09-17 | — | — | WO | disclosed |