⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28773729 | 0.82 | — | — | |
| SCHEMBL17709910 | 0.77 | PDE3B (0.36) | — | |
| SCHEMBL22748250 | 0.77 | GABRA1 (0.46) | — | |
| SCHEMBL29509560 | 0.77 | PDE3B (0.36) | — | |
| SCHEMBL11044360 | 0.76 | HSP90AA1 (0.41) | — | |
| SCHEMBL28773626 | 0.74 | IDO1 (0.34) | — | |
| SCHEMBL10969460 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL28773655 | 0.70 | IDO1 (0.38) | — | |
| SCHEMBL9575829 | 0.69 | — | — | |
| SCHEMBL29754963 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109111463-B | Method for producing aromatic compound | DIC株式会社 | 2022-07-01 | — | — | CN | disclosed |