⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762030 | 0.70 | — | — | |
| SCHEMBL13606839 | 0.68 | — | — | |
| SCHEMBL22623025 | 0.65 | — | — | |
| SCHEMBL13852525 | 0.64 | — | — | |
| SCHEMBL12607406 | 0.62 | — | — | |
| SCHEMBL762614 | 0.56 | — | — | |
| SCHEMBL12685673 | 0.53 | — | — | |
| SCHEMBL25150027 | 0.49 | — | — | |
| SCHEMBL21351776 | 0.46 | ADRA2A (0.36) | — | |
| SCHEMBL8595308 | 0.46 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2402332-A2 | Fungicidal heterocyclic compounds | E.I. Du Pont De Nemours And Company (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-1411940-B1 | BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS | MERCK & CO INC (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2008092281-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS | POLYPHOR LTD. (CH) | 2008-08-07 | — | — | WO | disclosed |