⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20182628 | 0.67 | — | — | |
| SCHEMBL684764 | 0.60 | — | — | |
| SCHEMBL13703812 | 0.60 | — | — | |
| SCHEMBL684683 | 0.60 | — | — | |
| SCHEMBL2295450 | 0.60 | — | — | |
| SCHEMBL4400439 | 0.60 | — | — | |
| SCHEMBL15833687 | 0.57 | — | — | |
| SCHEMBL13780560 | 0.57 | — | — | |
| SCHEMBL2666595 | 0.57 | — | — | |
| SCHEMBL11779706 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016010950-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-21 | — | — | WO | disclosed |
| EP-2323993-B1 | 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS | PORTOLA PHARM INC (US) | 2015-06-03 | — | — | EP | disclosed |
| US-8778923-B2 | GLP-1 receptor modulators | RECEPTOS, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8349860-B2 | Inhibitors of syk and JAK protein kinases | PORTOLA PHARMACEUTICALS, INC. (US) | 2013-01-08 | — | — | US | disclosed |