⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL626335 | 0.84 | — | — | |
| SCHEMBL10298553 | 0.83 | CYP2C19 (0.31) | — | |
| SCHEMBL10298569 | 0.81 | PIK3C3 (0.34) | — | |
| SCHEMBL10298551 | 0.80 | — | — | |
| SCHEMBL10288836 | 0.71 | CYP2C19 (0.33) | — | |
| SCHEMBL625799 | 0.69 | — | — | |
| SCHEMBL626271 | 0.69 | CYP2C19 (0.33) | — | |
| SCHEMBL10298564 | 0.67 | IDH1 (0.34) | — | |
| SCHEMBL10006225 | 0.66 | USP30 (0.34) | — | |
| SCHEMBL10006073 | 0.66 | — | — |
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-20150175563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |