⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28011432 | 0.82 | — | — | |
| SCHEMBL12270577 | 0.79 | NR2F2 (0.47) | — | |
| SCHEMBL15236714 | 0.79 | THRB (0.41) | — | |
| SCHEMBL8177320 | 0.79 | THRB (0.41) | — | |
| SCHEMBL10248614 | 0.77 | — | — | |
| SCHEMBL13226914 | 0.76 | TLR4 (0.36) | — | |
| SCHEMBL10248877 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL17294238 | 0.75 | — | — | |
| SCHEMBL756256 | 0.75 | BRD4 (0.58) | — | |
| SCHEMBL10252295 | 0.73 | BRD4 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170197960-A1 | ATX MODULATING AGENTS | BIOGEN MA INC. | 2017-07-13 | — | — | US | disclosed |
| US-20150366893-A1 | SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS | Epizyme, Inc. (US) | 2015-12-24 | — | — | US | disclosed |
| US-9096634-B2 | Substituted purine and 7-deazapurine compounds | Epizyme, Inc. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140051654-A1 | Substituted Purine and 7-Deazapurine Compounds | Epizyme, Inc. (US) | 2014-02-20 | — | — | US | disclosed |
| US-8580762-B2 | Substituted purine and 7-deazapurine compounds | Epizyme, Inc. (US) | 2013-11-12 | — | — | US | disclosed |
| US-20120142625-A1 | Substituted Purine And 7-Deazapurine Compounds | Epizyme, Inc. (US) | 2012-06-07 | — | — | US | disclosed |