⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3760214 | 1.00 | — | — | |
| SCHEMBL27467419 | 0.70 | — | — | |
| SCHEMBL503574 | 0.70 | — | — | |
| SCHEMBL16044216 | 0.70 | — | — | |
| SCHEMBL10840917 | 0.70 | — | — | |
| Acrylic Acid SCHEMBL30431258 | 0.66 | LMNA (0.71) | — | |
| Acrylic Acid SCHEMBL27615806 | 0.66 | LMNA (0.71) | — | |
| Acrylic Acid SCHEMBL1147986 | 0.66 | — | — | |
| Acrylic Acid SCHEMBL6557843 | 0.66 | LMNA (0.71) | — | |
| Acrylic Acid SCHEMBL29502206 | 0.66 | LMNA (0.71) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268825-B2 | Method for the treatment of anthrax infections | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100305119-A1 | Method for the treatment of anthrax infections | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-12-02 | — | — | US | disclosed |
| EP-0966464-B1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-05-28 | — | — | EP | disclosed |
| US-6114330-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0966464-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998039328-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F.HOFFMANN-LA ROCHE AG (CH) | 1998-09-11 | — | — | WO | disclosed |