⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27393 | 0.96 | — | — | |
| SCHEMBL31636743 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27459305 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7545996 | 0.93 | — | — | |
| Potassium SCHEMBL31609876 | 0.93 | — | — | |
| SCHEMBL23244605 | 0.93 | — | — | |
| Bromide SCHEMBL17824162 | 0.93 | — | — | |
| Nitrous Acid SCHEMBL2722388 | 0.87 | ALDH1A1 (0.39) | — | |
| Bromoform SCHEMBL9703431 | 0.84 | ALDH1A1 (0.30) | — | |
| Bicarbonate SCHEMBL28081350 | 0.84 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100292214-A1 | Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2010-11-18 | — | — | US | disclosed |
| EP-2155676-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | Commissariat à l'Energie Atomique (FR) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | WO | disclosed |
| EP-1997805-A1 | Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans | Commissariat à l'Energie Atomique (FR) | 2008-12-03 | — | — | EP | disclosed |