⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1743394 | 0.57 | — | — | |
| SCHEMBL12192010 | 0.51 | — | — | |
| SCHEMBL602269 | 0.48 | — | — | |
| SCHEMBL17136059 | 0.44 | — | — | |
| SCHEMBL8451582 | 0.43 | — | — | |
| SCHEMBL5318324 | 0.42 | — | — | |
| SCHEMBL9186401 | 0.41 | — | — | |
| SCHEMBL4872377 | 0.39 | DYRK1A (0.32) | — | |
| SCHEMBL2691142 | 0.39 | — | — | |
| SCHEMBL2554291 | 0.37 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020247054-A1 | COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2020-12-10 | — | — | WO | disclosed |
| WO-2017214269-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2017-12-14 | — | — | WO | disclosed |
| WO-2016054491-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2016-04-07 | — | — | WO | disclosed |