⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15984376 | 0.88 | — | — | |
| SCHEMBL17467629 | 0.88 | — | — | |
| SCHEMBL17467631 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL12285060 | 0.85 | — | — | |
| SCHEMBL18881929 | 0.84 | — | — | |
| SCHEMBL14671006 | 0.81 | — | — | |
| SCHEMBL17467612 | 0.79 | — | — | |
| SCHEMBL17379300 | 0.77 | — | — | |
| SCHEMBL17379359 | 0.77 | — | — | |
| SCHEMBL17379130 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180079737-A1 | FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME | ZAFGEN INC (US) | 2018-03-22 | — | — | US | disclosed |
| US-9226923-B2 | Spirocyclic molecules as protein kinase inhibitors | NANJING ALLGEN PHARMA CO. LTD. (CN) | 2016-01-05 | — | — | US | disclosed |
| US-20140243303-A1 | SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS | BETA PHARMA CANADA INC. (CA) | 2014-08-28 | — | — | US | disclosed |
| WO-2013013308-A1 | SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS | BETA PHARMA CANADA INC. (CA) | 2013-01-31 | — | — | WO | disclosed |