⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4355155 | 0.73 | — | — | |
| SCHEMBL2016755 | 0.69 | — | — | |
| SCHEMBL368477 | 0.69 | — | — | |
| SCHEMBL5555218 | 0.68 | — | — | |
| Bromide SCHEMBL28821485 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1098135 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27993272 | 0.67 | — | — | |
| SCHEMBL4199885 | 0.65 | — | — | |
| SCHEMBL6155343 | 0.65 | — | — | |
| Guanidine SCHEMBL28205590 | 0.65 | CYP1A2 (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 |
|---|---|---|---|---|---|---|---|
| EP-1159261-B1 | ANTIZYME MODULATORS AND THEIR USE | ORIDIGM CORP (US) | 2005-11-02 | — | — | EP | disclosed |
| EP-1159261-A2 | ANTIZYME MODULATORS AND THEIR USE | ORIDIGM CORPORATION (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000046187-A2 | ANTIZYME MODULATORS AND THEIR USE | ORIDIGM CORPORATION (US) | 2000-08-10 | — | — | WO | disclosed |