⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15981883 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL15981866 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL12652986 | 0.75 | — | — | |
| SCHEMBL8739986 | 0.75 | — | — | |
| SCHEMBL17449209 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL10259121 | 0.73 | — | — | |
| SCHEMBL14498593 | 0.73 | — | — | |
| SCHEMBL14558235 | 0.73 | — | — | |
| SCHEMBL13862848 | 0.71 | — | — | |
| SCHEMBL18597671 | 0.71 | CD274 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947717-B2 | Inhibitors of lethal factor protease | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2011-05-24 | — | — | US | disclosed |
| WO-2010044470-A1 | Π-ELECTRON CONJUGATED COMPOUND, MANUFACTURING METHOD THEREFOR, AND Π-ELECTRON CONJUGATED POLYMER OBTAINED USING SAME | 株式会社クラレ (JP) | 2010-04-22 | — | — | WO | disclosed |
| US-20100016292-A1 | INHIBITORS OF LETHAL FACTOR PROTEASE | THE BURNHAM INSTITUTE (US) | 2010-01-21 | — | — | US | disclosed |