⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18012788 | 0.86 | ALK (0.31) | — | |
| SCHEMBL18012634 | 0.85 | MAPT (0.35) | — | |
| SCHEMBL18012701 | 0.80 | OGG1 (0.34) | — | |
| SCHEMBL18012735 | 0.79 | PDK2 (0.36) | — | |
| SCHEMBL18012817 | 0.78 | PDK2 (0.36) | — | |
| SCHEMBL27880402 | 0.77 | PARP1 (0.43) | — | |
| SCHEMBL18012818 | 0.76 | PKM (0.37) | — | |
| SCHEMBL18012730 | 0.76 | MAPT (0.35) | — | |
| SCHEMBL18012825 | 0.75 | PDK2 (0.32) | — | |
| SCHEMBL18012808 | 0.74 | MAPT (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016126070-A1 | NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME | 한국화학연구원 | 2016-08-11 | — | — | WO | disclosed |