⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1706260 | 0.88 | — | — | |
| SCHEMBL6195423 | 0.79 | — | — | |
| SCHEMBL1761080 | 0.78 | MGAT2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7682298 | 0.77 | GNAI3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL20571151 | 0.77 | — | — | |
| SCHEMBL5500902 | 0.75 | — | — | |
| SCHEMBL1670149 | 0.72 | GRIN2D (0.33) | — | |
| SCHEMBL22719201 | 0.71 | SIGMAR1 (0.44) | — | |
| SCHEMBL21325461 | 0.71 | — | — | |
| SCHEMBL18703614 | 0.70 | — | — |
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-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | disclosed |