⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9906650 | 0.85 | TDP1 (0.39) | — | |
| SCHEMBL13536656 | 0.84 | HTR6 (0.39) | — | |
| SCHEMBL9909027 | 0.82 | MEN1 (0.39) | — | |
| SCHEMBL9909025 | 0.78 | MEN1 (0.48) | — | |
| SCHEMBL9906646 | 0.75 | SPHK2 (0.46) | — | |
| SCHEMBL9906658 | 0.75 | — | — | |
| SCHEMBL9906634 | 0.70 | SPHK1 (0.37) | — | |
| SCHEMBL9906695 | 0.70 | TDP1 (0.38) | — | |
| SCHEMBL9906630 | 0.70 | BCHE (0.40) | — | |
| SCHEMBL9906649 | 0.69 | SPHK2 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8198303-B2 | Methods of use and compositions for the diagnosis and treatment of infectious diseases | SEQUELLA, INC. (US) | 2012-06-12 | — | — | US | disclosed |
| US-20100273826-A1 | METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES | SEQUELLA, INC. | 2010-10-28 | — | — | US | disclosed |
| US-20100273826-A1 | METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES | SEQUELLA, INC. | 2010-10-28 | — | — | US | disclosed |
| US-7652039-B2 | Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis | SEQUELLA, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| US-7652039-B2 | Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis | SEQUELLA, INC. (US) | 2010-01-26 | — | — | US | disclosed |