⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2802019 | 0.96 | KDM1A (0.31) | — | |
| SCHEMBL5148248 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL8211332 | 0.84 | CYP1A2 (0.32) | — | |
| SCHEMBL6711335 | 0.82 | PKM (0.30) | — | |
| SCHEMBL4521937 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL8201869 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL1255774 | 0.79 | CYP2C19 (0.35) | — | |
| SCHEMBL5579448 | 0.79 | HTT (0.33) | — | |
| SCHEMBL710236 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL4882781 | 0.78 | KDM1A (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 |
|---|---|---|---|---|---|---|---|
| EP-0977288-A2 | Electron-injecting layer formed from a dopant layer for organic light-emitting structure | EASTMAN KODAK COMPANY (US) | 2000-02-02 | — | — | EP | disclosed |