⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21479046 | 0.82 | — | — | |
| SCHEMBL31000360 | 0.78 | KDM1A (0.34) | — | |
| SCHEMBL13604087 | 0.67 | NOS1 (0.48) | — | |
| SCHEMBL22546213 | 0.65 | NOS3 (0.33) | — | |
| SCHEMBL9004385 | 0.65 | HTR5A (0.35) | — | |
| SCHEMBL18078995 | 0.63 | KDM1A (0.44) | — | |
| SCHEMBL22373615 | 0.62 | KDM1A (0.38) | — | |
| SCHEMBL22083635 | 0.61 | KDM1A (0.42) | — | |
| SCHEMBL20841053 | 0.60 | NOS1 (0.39) | — | |
| SCHEMBL12443704 | 0.59 | KDM1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3552605-A1 | MCOPPB FOR USE AS MEDICAMENT | Univerzita Palackého V Olomouchi (CZ) | 2019-10-16 | — | — | EP | disclosed |