⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24203475 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL22547830 | 0.76 | — | — | |
| SCHEMBL16326333 | 0.74 | TDP1 (0.42) | — | |
| SCHEMBL24219449 | 0.73 | — | — | |
| SCHEMBL20027435 | 0.72 | MEN1 (0.47) | — | |
| SCHEMBL24203520 | 0.72 | — | — | |
| SCHEMBL21769304 | 0.72 | ESR1 (0.43) | — | |
| SCHEMBL18789923 | 0.72 | — | — | |
| SCHEMBL18951718 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL14922421 | 0.70 | ALDH1A1 (0.39) | — |
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-2018058492-A1 | ORGANIC COMPOUND AND ELECTRONIC DEVICE COMPRISING AN ORGANIC LAYER COMPRISING THE ORGANIC COMPOUND | DOW GLOBAL TECHNOLOGIES LLC (US) | 2018-04-05 | — | — | WO | disclosed |