⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20906373 | 0.90 | — | — | |
| SCHEMBL20906762 | 0.84 | — | — | |
| SCHEMBL20906719 | 0.83 | — | — | |
| SCHEMBL20906752 | 0.80 | HTR2A (0.31) | — | |
| SCHEMBL20906376 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL20906372 | 0.75 | ATP4A (0.34) | — | |
| SCHEMBL20906691 | 0.73 | LTA4H (0.35) | — | |
| SCHEMBL20906356 | 0.72 | SCN2A (0.33) | — | |
| SCHEMBL20906680 | 0.69 | ADRA2A (0.36) | — | |
| SCHEMBL20906761 | 0.68 | KDM4E (0.31) | — |
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-2019071428-A1 | COMPOUND, PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION AND CURED PRODUCT THEREOF, AND PHOTOCURABLE INK AND PRINT USING THE SAME | DIC CORPORATION (JP) | 2019-04-18 | — | — | WO | disclosed |