⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28292474 | 0.76 | — | — | |
| SCHEMBL6022856 | 0.71 | — | — | |
| SCHEMBL28288128 | 0.71 | — | — | |
| SCHEMBL28182242 | 0.70 | — | — | |
| SCHEMBL420045 | 0.69 | NFKB1 (0.37) | — | |
| SCHEMBL28230591 | 0.69 | — | — | |
| SCHEMBL18757819 | 0.67 | — | — | |
| SCHEMBL27278812 | 0.67 | — | — | |
| SCHEMBL27669981 | 0.67 | — | — | |
| SCHEMBL1325231 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103772395-B | One class has PARP and suppresses active compound, Preparation Method And The Use | CHINA PHARMACEUTICAL UNIVERSITY (CN) | 2016-05-11 | — | — | CN | claimed |
| CN-103772395-B | One class has PARP and suppresses active compound, Preparation Method And The Use | CHINA PHARMACEUTICAL UNIVERSITY (CN) | 2016-05-11 | — | — | CN | disclosed |