⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2180899 | 0.66 | — | — | |
| Methylpiperazine SCHEMBL4903056 | 0.65 | MEN1 (0.41) | — | |
| SCHEMBL4529279 | 0.65 | USP2 (0.31) | — | |
| SCHEMBL5878769 | 0.65 | — | — | |
| Methylpiperazine SCHEMBL6524502 | 0.62 | MEN1 (0.50) | — | |
| SCHEMBL14129761 | 0.62 | KDM4E (0.43) | — | |
| SCHEMBL20762945 | 0.61 | MEN1 (0.55) | — | |
| Morpholine SCHEMBL6321124 | 0.61 | MEN1 (0.55) | — | |
| SCHEMBL13512283 | 0.61 | MEN1 (0.55) | — | |
| SCHEMBL416345 | 0.61 | SMN1; SMN2 (0.50) | — |
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-1157014-B1 | POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT | AVENTIS PHARMA GMBH (DE) | 2005-08-24 | — | — | EP | claimed |