⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5195467 | 0.84 | NPSR1 (0.35) | — | |
| SCHEMBL5193800 | 0.82 | NAAA (0.38) | — | |
| SCHEMBL2911232 | 0.80 | SLC6A1 (0.32) | — | |
| SCHEMBL23389921 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL122593 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5195330 | 0.76 | CHRNB2 (0.37) | — | |
| SCHEMBL1602859 | 0.75 | CHRM5 (0.42) | — | |
| SCHEMBL28013177 | 0.73 | SLC6A1 (0.35) | — | |
| SCHEMBL5189969 | 0.72 | EPHX1 (0.47) | — | |
| SCHEMBL2917738 | 0.71 | SLC6A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | disclosed |