⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16613643 | 0.93 | — | — | |
| SCHEMBL16613681 | 0.92 | — | — | |
| SCHEMBL16613480 | 0.92 | ALDH1A1 (0.30) | — | |
| SCHEMBL16613597 | 0.90 | — | — | |
| SCHEMBL16613644 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL16613451 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL16613575 | 0.88 | PTGER1 (0.31) | — | |
| SCHEMBL16613605 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL16613421 | 0.88 | VCP (0.30) | — | |
| SCHEMBL16613569 | 0.87 | — | — |
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 |