⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1791949 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL21296705 | 0.62 | — | — | |
| SCHEMBL5639451 | 0.61 | EPHX1 (0.40) | — | |
| SCHEMBL1766322 | 0.61 | EPHX1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL21378253 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL17080536 | 0.58 | — | — | |
| SCHEMBL530404 | 0.56 | KDM1A (0.38) | — | |
| SCHEMBL17458 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL8648521 | 0.54 | KDM1A (0.37) | — | |
| Hydrochloric Acid SCHEMBL8308713 | 0.54 | — | — |
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-0929217-B1 | SORDARIN DERIVATIVES | MERCK & CO INC (US) | 2004-03-03 | — | — | EP | disclosed |