⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5065952 | 0.78 | ATM (0.31) | — | |
| SCHEMBL5065905 | 0.78 | ATM (0.31) | — | |
| SCHEMBL2564045 | 0.74 | CYP2C19 (0.35) | — | |
| SCHEMBL5067872 | 0.74 | GLI1 (0.30) | — | |
| SCHEMBL31702961 | 0.73 | POLB (0.33) | — | |
| SCHEMBL17959581 | 0.67 | ATM (0.33) | — | |
| SCHEMBL4433742 | 0.67 | ATM (0.46) | — | |
| SCHEMBL4433741 | 0.67 | ATM (0.46) | — | |
| SCHEMBL30591420 | 0.67 | ATM (0.31) | — | |
| SCHEMBL5065994 | 0.67 | ATM (0.50) | — |
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-20080318923-A1 | 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-25 | — | — | US | disclosed |