⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL637868 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30823563 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17648622 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL4270514 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL5579824 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL4274399 | 0.84 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL2395572 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL29617091 | 0.82 | — | — | |
| SCHEMBL12611909 | 0.76 | — | — | |
| SCHEMBL1573305 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007789-B1 | Spirocyclic HCV/HIV inhibitors and their uses | NOVARTIS AG (CH) | 2015-05-20 | — | — | EP | disclosed |
| WO-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |
| WO-2008070358-A2 | N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN | PHENOMIX CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2006113942-A2 | METHOD OF INHIBITING CATHEPSIN ACTIVITY | SCHERING CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |
| WO-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |
| EP-0246194-B1 | COMPLEXES OF IRIDIUM AND THEIR USE | CIBA-GEIGY AG (CH) | 1991-10-30 | — | — | EP | disclosed |
| US-4997964-A | CATALYSTS | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |