⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17576 | 1.00 | — | — | |
| SCHEMBL1077449 | 0.76 | — | — | |
| SCHEMBL5553217 | 0.73 | — | — | |
| SCHEMBL31605796 | 0.73 | — | — | |
| SCHEMBL466800 | 0.72 | — | — | |
| SCHEMBL617335 | 0.72 | — | — | |
| SCHEMBL77308 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL25230870 | 0.69 | — | — | |
| SCHEMBL10792702 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL16820880 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0866791-B1 | DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL | ARPIDA AG (CH) | 2002-01-30 | — | — | EP | disclosed |
| EP-1149834-A1 | Diaminopyrimidines, pharmaceutical compositions containing them and their use as antibacterial | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| EP-0866791-A1 | DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL | F. HOFFMANN-LA ROCHE AG (CH) | 1998-09-30 | — | — | EP | disclosed |
| US-5773446-A | BACTERICIDES; CONTROLLING INFECTIONS | HOFFMANN-LA ROCHE INC. (US) | 1998-06-30 | — | — | US | disclosed |
| WO-1997020839-A1 | DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-12 | — | — | WO | disclosed |