⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17623528 | 0.83 | SHMT2 (0.31) | — | |
| SCHEMBL1127480 | 0.78 | — | — | |
| SCHEMBL6602372 | 0.72 | PPM1B (0.37) | — | |
| SCHEMBL15679196 | 0.67 | CHRNB2 (0.36) | — | |
| SCHEMBL17623526 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL17623531 | 0.64 | CHRNB2 (0.31) | — | |
| SCHEMBL28025732 | 0.64 | — | — | |
| SCHEMBL2909606 | 0.63 | — | — | |
| SCHEMBL2915330 | 0.63 | — | — | |
| SCHEMBL8602119 | 0.61 | — | — |
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-10329558-B2 | Method for producing compound containing heterocycle | THE UNIVERSITY OF TOKYO (JP) | 2019-06-25 | — | — | US | disclosed |
| US-20160083719-A1 | Method for Producing Compound Containing Heterocycle | THE UNIVERSITY OF TOKYO (JP) | 2016-03-24 | — | — | US | disclosed |
| US-20140113830-A1 | Azoline Compound and Azole Compound Library and Method for Producing Same | THE UNIVERSITY OF TOKYO (JP) | 2014-04-24 | — | — | US | disclosed |
| US-8394787-B2 | 7-aza-spiro[3.5]nonane-7-carboxylate derivatives, preparation thereof and therapeutic use thereof | SANOFI (FR) | 2013-03-12 | — | — | US | disclosed |