⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2319141 | 0.68 | BACE1 (0.32) | — | |
| SCHEMBL6359556 | 0.62 | — | — | |
| SCHEMBL22297073 | 0.60 | — | — | |
| SCHEMBL29883429 | 0.54 | — | — | |
| SCHEMBL30430603 | 0.54 | CHRNB2 (0.35) | — | |
| SCHEMBL13178123 | 0.53 | F10 (0.33) | — | |
| SCHEMBL9900722 | 0.52 | — | — | |
| SCHEMBL4301210 | 0.52 | — | — | |
| SCHEMBL1331821 | 0.52 | — | — | |
| SCHEMBL31265914 | 0.51 | CA1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110190266-A1 | 5,6,6a,7,8,9-HEXAHYDRO-2H-PYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | BIOMARIN PHARMACEUTICAL INC. | 2011-08-04 | — | — | US | disclosed |