⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165337 | 0.98 | — | — | |
| Bromide SCHEMBL6153368 | 0.95 | — | — | |
| Water SCHEMBL27535040 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5744190 | 0.95 | — | — | |
| Methylene Chloride SCHEMBL27703541 | 0.89 | KDM4E (0.80) | — | |
| Formic Acid SCHEMBL28287276 | 0.89 | KDM4E (0.80) | — | |
| SCHEMBL27807936 | 0.89 | KDM4E (0.80) | — | |
| Trifluoroacetic Acid SCHEMBL30101402 | 0.86 | KDM4E (0.74) | — | |
| SCHEMBL6287457 | 0.82 | KDM4E (0.69) | — | |
| SCHEMBL4532908 | 0.80 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1080720-C | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-13 | — | — | CN | disclosed |
| CN-1224718-A | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 1999-08-04 | — | — | CN | disclosed |