⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1751317 | 0.82 | — | — | |
| Bromide SCHEMBL923548 | 0.80 | — | — | |
| SCHEMBL25306267 | 0.78 | SLC6A3 (0.36) | — | |
| SCHEMBL17261564 | 0.76 | — | — | |
| SCHEMBL307817 | 0.76 | — | — | |
| SCHEMBL11779488 | 0.76 | LOXL2 (0.52) | — | |
| SCHEMBL10863644 | 0.75 | MAOB (0.35) | — | |
| SCHEMBL937324 | 0.75 | — | — | |
| SCHEMBL2643234 | 0.74 | LOXL2 (0.42) | — | |
| SCHEMBL2642577 | 0.74 | — | — |
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-0239815-A1 | Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1987-10-07 | — | — | EP | disclosed |