⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20672264 | 0.84 | SMYD3 (0.32) | — | |
| SCHEMBL20672226 | 0.84 | SMYD3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL20659570 | 0.82 | SMYD3 (0.31) | — | |
| SCHEMBL10248640 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL117079 | 0.80 | LIPA (0.31) | — | |
| SCHEMBL10248621 | 0.80 | BRD4 (0.39) | — | |
| SCHEMBL10252295 | 0.78 | BRD4 (0.33) | — | |
| SCHEMBL18438801 | 0.77 | ALOX5 (0.34) | — | |
| SCHEMBL7500572 | 0.77 | EPHX2 (0.37) | — | |
| SCHEMBL14015147 | 0.76 | CHRM3 (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180127451-A1 | SUBSTITUTED PURINE COMPOUNDS | Epizyme, Inc. | 2018-05-10 | — | — | US | disclosed |
| US-9688714-B2 | Substituted purine compounds | Epizyme, Inc. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20160368943-A1 | SUBSTITUTED PURINE COMPOUNDS | Epizyme, Inc. | 2016-12-22 | — | — | 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 |