⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL429456 | 1.00 | — | — | |
| SCHEMBL23005879 | 1.00 | — | — | |
| SCHEMBL22661254 | 1.00 | — | — | |
| SCHEMBL23264960 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7994392 | 0.97 | — | — | |
| Ethylene SCHEMBL8982169 | 0.94 | MAPT (0.31) | — | |
| SCHEMBL28052632 | 0.92 | — | — | |
| SCHEMBL3315950 | 0.85 | POLB (0.34) | — | |
| SCHEMBL22813241 | 0.84 | — | — | |
| SCHEMBL1266409 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1807411-A1 | CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042850-A1 | CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-04-27 | — | — | WO | disclosed |