⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16613478 | 0.96 | TUBB4A (0.30) | — | |
| SCHEMBL16613431 | 0.92 | TUBB4A (0.34) | — | |
| SCHEMBL16613408 | 0.91 | — | — | |
| SCHEMBL16613479 | 0.90 | ENPP3 (0.32) | — | |
| SCHEMBL16613439 | 0.88 | CHRNA1 (0.32) | — | |
| SCHEMBL16613336 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL16613441 | 0.88 | — | — | |
| SCHEMBL16613418 | 0.87 | TUBB4A (0.36) | — | |
| SCHEMBL16613415 | 0.86 | — | — | |
| SCHEMBL16613335 | 0.86 | PARP14 (0.30) | — |
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-2015047058-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |