⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9851980 | 0.74 | — | — | |
| SCHEMBL6582235 | 0.71 | — | — | |
| SCHEMBL194227 | 0.70 | — | — | |
| SCHEMBL2486825 | 0.70 | BACE1 (0.38) | — | |
| SCHEMBL26492319 | 0.62 | KDM4E (0.39) | — | |
| SCHEMBL1967252 | 0.62 | — | — | |
| SCHEMBL9169515 | 0.60 | — | — | |
| SCHEMBL6379784 | 0.60 | — | — | |
| SCHEMBL6024634 | 0.60 | SOS1 (0.31) | — | |
| SCHEMBL17177200 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2547661-A2 | INDAZOLE COMPOUNDS AND THEIR USES | Dana-Farber Cancer Institute, Inc. (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011115725-A2 | INDAZOLE COMPOUNDS AND THEIR USES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-09-22 | — | — | WO | disclosed |
| EP-1539754-A4 | BENZIMIDAZOLE QUINOLINONES AND USES THEREOF | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1539754-A2 | BENZIMIDAZOLE QUINOLINONES AND USES THEREOF | Chiron Corporation (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018419-A2 | BENZIMIDAZOLE QUINOLINONES AND USES THEREOF | CHIRON CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |