⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6565503 | 0.88 | — | — | |
| SCHEMBL6195423 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL20571151 | 0.80 | — | — | |
| SCHEMBL5500902 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL14744105 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL1761080 | 0.74 | MGAT2 (0.30) | — | |
| SCHEMBL21325461 | 0.74 | — | — | |
| SCHEMBL14728239 | 0.73 | — | — | |
| SCHEMBL18703614 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7682298 | 0.72 | GNAI3 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440521-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142650-A1 | NOVEL CYCLOPENTANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |