⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1695497 | 0.75 | — | — | |
| SCHEMBL5828907 | 0.75 | — | — | |
| SCHEMBL97428 | 0.75 | — | — | |
| Allyl Formate SCHEMBL28798919 | 0.73 | — | — | |
| SCHEMBL10530245 | 0.72 | — | — | |
| SCHEMBL10530248 | 0.72 | — | — | |
| SCHEMBL10792056 | 0.72 | — | — | |
| SCHEMBL210203 | 0.72 | — | — | |
| SCHEMBL4902373 | 0.68 | — | — | |
| SCHEMBL9179249 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0698641-A1 | Cationic 1,3,4-thiadiazole dyes | BAYER AG (DE) | 1996-02-28 | — | — | EP | disclosed |