⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL439661 | 0.69 | — | — | |
| SCHEMBL8170679 | 0.67 | — | — | |
| SCHEMBL4771228 | 0.67 | — | — | |
| SCHEMBL5115548 | 0.65 | — | — | |
| SCHEMBL20209043 | 0.61 | — | — | |
| SCHEMBL19608190 | 0.61 | MLYCD (0.36) | — | |
| SCHEMBL8531379 | 0.60 | — | — | |
| SCHEMBL8183457 | 0.57 | — | — | |
| SCHEMBL7108007 | 0.57 | — | — | |
| SCHEMBL5622501 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4143044-A | PROCESS FOR MAKING SELECTED 3-TRIHALOMETHYL-5-LOWER ALKOXY-1,2,4-THIADIAZOLES | OLIN CORPORATION (US) | 1979-03-06 | — | — | US | disclosed |