⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6050603 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10743088 | 0.74 | — | — | |
| SCHEMBL6050620 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL10744385 | 0.71 | KMT2A (0.33) | — | |
| SCHEMBL11580726 | 0.70 | KMT2A (0.42) | — | |
| SCHEMBL11404206 | 0.69 | BRD4 (0.37) | — | |
| SCHEMBL11406579 | 0.69 | HTR1D (0.39) | — | |
| SCHEMBL11388955 | 0.68 | MAPT (0.40) | — | |
| SCHEMBL11392937 | 0.68 | PCSK9 (0.36) | — | |
| SCHEMBL11392783 | 0.68 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4710506-A | Antihypertensive thienopyridines | THE BOOTS COMPANY PLC (GB) | 1987-12-01 | — | — | US | disclosed |
| EP-0209977-A2 | Thienopyridones, processes and intermediates for their preparation and pharmaceutical compositions containing them | The Boots Company PLC (GB) | 1987-01-28 | — | — | EP | disclosed |