⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910703 | 0.64 | TYMS (0.38) | — | |
| SCHEMBL9214930 | 0.64 | PARP1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9598768 | 0.63 | PARP1 (0.34) | — | |
| SCHEMBL4502110 | 0.61 | — | — | |
| SCHEMBL4502169 | 0.60 | — | — | |
| SCHEMBL4502172 | 0.60 | — | — | |
| Indene SCHEMBL8336138 | 0.60 | CA1 (0.55) | — | |
| Indene SCHEMBL8617 | 0.60 | — | — | |
| Indene SCHEMBL29350094 | 0.60 | — | — | |
| SCHEMBL6222225 | 0.60 | CA1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257551-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009104147-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-08-27 | — | — | WO | disclosed |