⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9445689 | 0.97 | — | — | |
| SCHEMBL4822542 | 0.92 | — | — | |
| SCHEMBL16487278 | 0.90 | RAB9A (0.31) | — | |
| SCHEMBL9560193 | 0.90 | RAB9A (0.31) | — | |
| SCHEMBL101567 | 0.83 | — | — | |
| SCHEMBL20639270 | 0.83 | — | — | |
| SCHEMBL16420274 | 0.83 | RAB9A (0.33) | — | |
| SCHEMBL31725737 | 0.80 | RAB9A (0.38) | — | |
| SCHEMBL23532681 | 0.76 | — | — | |
| SCHEMBL588584 | 0.76 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5523312-A | ADMINISTERING TO MAMMALS | STERLING WINTHROP INC. (US) | 1996-06-04 | — | — | US | disclosed |
| US-5514692-A | VIRICIDES | STERLING WINTHROP INC. (US) | 1996-05-07 | — | — | US | disclosed |
| US-5187175-A | 2-carbonyl substituted-5-hydroxy-1, 3-pyrimidines as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1993-02-16 | — | — | US | disclosed |