⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3948485 | 0.66 | MAPT (0.38) | — | |
| SCHEMBL3582939 | 0.63 | MAPT (0.46) | — | |
| SCHEMBL3583091 | 0.55 | MAPT (0.45) | — | |
| SCHEMBL28254349 | 0.52 | — | — | |
| SCHEMBL28857807 | 0.51 | KDM4E (0.45) | — | |
| SCHEMBL29508937 | 0.51 | PDE10A (0.56) | — | |
| SCHEMBL251800 | 0.51 | PDE10A (0.56) | — | |
| SCHEMBL4537667 | 0.51 | NAPRT (0.39) | — | |
| SCHEMBL16835913 | 0.51 | KDM4E (0.46) | — | |
| Alcohol SCHEMBL29102443 | 0.51 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027091-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - Portela & Ca., S.A. (PT) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007117165-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2007-10-18 | — | — | WO | disclosed |