⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14900001 | 0.81 | PTPN1 (0.37) | — | |
| SCHEMBL14865123 | 0.75 | — | — | |
| SCHEMBL2531786 | 0.74 | — | — | |
| SCHEMBL12332396 | 0.71 | PTPN1 (0.31) | — | |
| SCHEMBL6901038 | 0.71 | PTPN1 (0.39) | — | |
| SCHEMBL5983488 | 0.70 | PTPN1 (0.31) | — | |
| SCHEMBL15976424 | 0.69 | — | — | |
| SCHEMBL13515204 | 0.67 | PTPN1 (0.32) | — | |
| SCHEMBL13879801 | 0.67 | NR5A1 (0.36) | — | |
| SCHEMBL12462708 | 0.67 | LTA4H (0.42) | — |
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-9670309-B2 | Novolac-based epoxy compound, production method for same, composition and cured article comprising same, and use for same | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2017-06-06 | — | — | US | disclosed |