⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50349 | 1.00 | — | — | |
| Methane SCHEMBL11115500 | 0.97 | — | — | |
| SCHEMBL52153 | 0.84 | — | — | |
| SCHEMBL20446745 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL9720154 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL3109490 | 0.82 | ALDH1A1 (0.54) | — | |
| SCHEMBL22152197 | 0.82 | CHRM2 (0.47) | — | |
| SCHEMBL1772739 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL3118933 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL15936074 | 0.80 | ALDH1A1 (0.58) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652369-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5620987-A | Amino acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5554756-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-09-10 | — | — | US | disclosed |
| US-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0346847-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 1994-05-11 | — | — | EP | disclosed |
| US-5157041-A | Viricides | HOFFMANN-LA ROCHE INC. (US) | 1992-10-20 | — | — | US | disclosed |
| EP-0346847-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-20 | — | — | EP | disclosed |