⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL785508 | 0.77 | CTRB1 (0.34) | — | |
| SCHEMBL15918033 | 0.73 | — | — | |
| SCHEMBL16896817 | 0.70 | — | — | |
| SCHEMBL6661621 | 0.69 | — | — | |
| SCHEMBL1442396 | 0.69 | — | — | |
| SCHEMBL302005 | 0.68 | — | — | |
| Cyclohexanone SCHEMBL28357381 | 0.68 | TRIM24 (0.34) | — | |
| Bromide SCHEMBL27304882 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8122291 | 0.67 | — | — | |
| SCHEMBL27417539 | 0.67 | MAPT (0.36) | — |
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-1968954-A | Thienopyridine Derivatives | SANKYO CO (JP) | 2007-05-23 | — | — | CN | disclosed |