⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL831131 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL1054620 | 0.61 | — | — | |
| SCHEMBL232008 | 0.61 | PNMT (0.36) | — | |
| SCHEMBL122550 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL15467307 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL523251 | 0.59 | — | — | |
| SCHEMBL22037 | 0.57 | — | — | |
| SCHEMBL14534464 | 0.57 | — | — | |
| SCHEMBL19638785 | 0.53 | — | — | |
| SCHEMBL5698810 | 0.52 | — | — |
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-8513433-B2 | Small molecule inhibitors of PARP activity | ANGION BIOMEDICA CORP. (US) | 2013-08-20 | — | — | US | claimed |
| US-20120184533-A1 | SMALL MOLECULE INHIBITORS OF PARP ACTIVITY | ANGION BIOMEDICA CORP. (US) | 2012-07-19 | — | — | US | claimed |
| WO-2011002520-A2 | SMALL MOLECULE INHIBITORS OF PARP ACTIVITY | ANGION BIOMEDICA CORP. (US) | 2011-01-06 | — | — | WO | claimed |
| WO-2011002520-A2 | SMALL MOLECULE INHIBITORS OF PARP ACTIVITY | ANGION BIOMEDICA CORP. (US) | 2011-01-06 | — | — | WO | disclosed |