⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5537146 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL11564103 | 0.78 | — | — | |
| SCHEMBL10350066 | 0.76 | — | — | |
| SCHEMBL11583412 | 0.76 | — | — | |
| SCHEMBL9479129 | 0.76 | — | — | |
| SCHEMBL6845036 | 0.76 | — | — | |
| SCHEMBL15305911 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL811232 | 0.72 | KMT2A (0.50) | — | |
| SCHEMBL9826113 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL8577487 | 0.72 | MYC (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0566138-B1 | Amino thiazole derivatives and their use as fungicides | HODOGAYA CHEMICAL CO LTD (JP) | 1998-11-18 | — | — | EP | disclosed |
| EP-0328954-A1 | 5-Cyano-2,4-diamino-thiazole derivatives | BAYER AG (DE) | 1989-08-23 | — | — | EP | disclosed |
| EP-0328954-A1 | 5-Cyano-2,4-diamino-thiazole derivatives | BAYER AG (DE) | 1989-08-23 | — | — | EP | disclosed |
| EP-0328954-A1 | 5-Cyano-2,4-diamino-thiazole derivatives | BAYER AG (DE) | 1989-08-23 | — | — | EP | disclosed |