⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27018581 | 0.77 | AKR1C3 (0.43) | — | |
| SCHEMBL4197382 | 0.68 | CYP2C9 (0.46) | — | |
| SCHEMBL18931271 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL12785465 | 0.66 | — | — | |
| SCHEMBL28964265 | 0.63 | ALDH1A1 (0.47) | — | |
| Triphenylene SCHEMBL27837637 | 0.63 | CXCR2 (0.49) | — | |
| SCHEMBL8333914 | 0.63 | — | — | |
| SCHEMBL19512835 | 0.62 | ALDH1A1 (0.43) | — | |
| SCHEMBL28190448 | 0.62 | CES1 (0.41) | — | |
| SCHEMBL6023595 | 0.62 | AKR1C3 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8623520-B2 | Fused aromatic derivative and organic electroluminescence device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2014-01-07 | — | — | US | disclosed |