⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19446670 | 0.74 | GABRA1 (0.35) | — | |
| SCHEMBL16864140 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL5582405 | 0.72 | MEN1 (0.43) | — | |
| SCHEMBL27392701 | 0.72 | P2RX7 (0.30) | — | |
| SCHEMBL18960789 | 0.71 | HPGD (0.38) | — | |
| SCHEMBL17033547 | 0.71 | MEN1 (0.36) | — | |
| SCHEMBL17413356 | 0.71 | EGFR (0.40) | — | |
| SCHEMBL20080285 | 0.71 | — | — | |
| SCHEMBL21698956 | 0.69 | GP6 (0.30) | — | |
| SCHEMBL18904013 | 0.69 | MEN1 (0.34) | — |
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-3246963-A2 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Display Co., Ltd. (KR) | 2017-11-22 | — | — | EP | disclosed |