⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18925970 | 1.00 | — | — | |
| SCHEMBL8348763 | 0.76 | — | — | |
| SCHEMBL6360201 | 0.76 | — | — | |
| SCHEMBL257548 | 0.76 | — | — | |
| SCHEMBL19955330 | 0.76 | — | — | |
| SCHEMBL12579966 | 0.72 | — | — | |
| SCHEMBL13424287 | 0.72 | — | — | |
| SCHEMBL18266153 | 0.71 | — | — | |
| SCHEMBL22747374 | 0.71 | — | — | |
| SCHEMBL16743265 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10934305-B2 | SHMT inhibitors | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2021-03-02 | — | — | US | disclosed |
| US-20200239488-A1 | SHMT Inhibitors | THE TRUSTEES OF PRINCETON UNIVERSITY | 2020-07-30 | — | — | US | disclosed |
| US-20180072751-A1 | SHMT Inhibitors | THE TRUSTEES OF PRINCETON UNIVERSITY | 2018-03-15 | — | — | US | disclosed |