⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1352439 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL25440571 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL24328680 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL15499270 | 0.77 | KDM4E (0.36) | — | |
| SCHEMBL12138460 | 0.77 | — | — | |
| SCHEMBL22062881 | 0.74 | TLR4 (0.33) | — | |
| SCHEMBL178299 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL23855153 | 0.72 | — | — | |
| SCHEMBL23855239 | 0.72 | — | — | |
| SCHEMBL16254658 | 0.72 | — | — |
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-20160068531-A1 | NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2016-03-10 | — | — | US | disclosed |
| WO-2014184163-A1 | AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-20 | — | — | WO | disclosed |