⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19675022 | 0.86 | TDP1 (0.38) | — | |
| SCHEMBL19674993 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL27340067 | 0.79 | CYP2C19 (0.33) | — | |
| SCHEMBL10161084 | 0.77 | HSP90AA1 (0.35) | — | |
| SCHEMBL13333937 | 0.77 | RELA (0.33) | — | |
| SCHEMBL13353875 | 0.75 | — | — | |
| SCHEMBL13760202 | 0.74 | APP (0.32) | — | |
| SCHEMBL13511629 | 0.73 | RELA (0.35) | — | |
| SCHEMBL13365580 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL12888123 | 0.73 | ALDH1A1 (0.32) | — |
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-3174115-A1 | CHARGE TRANSPORT MATERIAL | Nissan Chemical Industries, Ltd. (JP) | 2017-05-31 | — | — | EP | disclosed |